Diazanaphthalenes
Erastin, TRC
CAS: 571203-78-6 Molecular Formula: C30H31ClN4O4 Molecular Weight (g/mol): 547.04 Synonym: 2-[1-[4-[2-(4-Chlorophenoxy)acetyl]-1-piperazinyl]ethyl]-3-(2-ethoxyphenyl)-4(3H)-quinazolinone IUPAC Name: 2-(1-(4-(2-(4-chlorophenoxy)acetyl)piperazin-1-yl)ethyl)-3-(2-ethoxyphenyl)quinazolin-4(3H)-one SMILES: O=C1N(C2=CC=CC=C2OCC)C(C(N3CCN(C(COC4=CC=C(Cl)C=C4)=O)CC3)C)=NC5=C1C=CC=C5
Phthalic Hydrazide, TRC
CAS: 1445-69-8 Molecular Formula: C8 H6 N2 O2 Molecular Weight (g/mol): 162.15 Synonym: 2,3-Dihydro-1,4-phthalazinedione,1,2-Benzenedicarboxylic acid, cyclic hydrazide,1,4-Dihydroxyphthalazine,1,4-Phthalazinediol,4-Hydroxyphthalazin-1(2H)-one,Hydrazine, 1,2-(1,2-phenylenedicarbonyl)-,N,N'-Phthaloylhydrazine,NSC 201511,NSC 651,Phthalazine-1,4(2H,3H)-dione,Phthalhydrazide,Phthalic acid cyclic hydrazide,Phthalocyclohydrazide IUPAC Name: 2,3-dihydrophthalazine-1,4-dione SMILES: O=C1NNC(=O)c2ccccc12
(4-Methylquinazolin-2-yl)methanol, TRC
CAS: 13535-91-6 Molecular Formula: C10H10N2O Molecular Weight (g/mol): 174.2 Synonym: 2-Hydroxymethyl-4-methylquinazoline IUPAC Name: (4-methylquinazolin-2-yl)methanol SMILES: Cc1nc(CO)nc2ccccc12
Phthalazine, TRC
CAS: 253-52-1 Molecular Formula: C8 H6 N2 Molecular Weight (g/mol): 130.15 Synonym: 2,3-Benzodiazine,2,3-Diazanaphthalene,Benzo[d]pyridazine,NSC 62484,NSC 63241,β-Phenodiazine IUPAC Name: phthalazine SMILES: c1ccc2cnncc2c1
1-Aminophthalazine, TRC
CAS: 19064-69-8 Molecular Formula: C8 H7 N3 Molecular Weight (g/mol): 145.16 IUPAC Name: phthalazin-1-amine SMILES: Nc1nncc2ccccc12
Desbromo Brimonidine, TRC
CAS: 91147-43-2 Molecular Formula: C11 H11 N5 Molecular Weight (g/mol): 213.24 Synonym: N-(4,5-Dihydro-1H-imidazol-2-yl)-6-quinoxalinamine,UK 41511 IUPAC Name: N-quinoxalin-6-ylimidazolidin-2-imine SMILES: C1CNC(=Nc2ccc3nccnc3c2)N1
Gefitinib, TRC
CAS: 184475-35-2 Molecular Formula: C22 H24 Cl F N4 O3 Molecular Weight (g/mol): 446.9 IUPAC Name: N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine SMILES: COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN4CCOCC4
Enoxacin, TRC
CAS: 74011-58-8 Molecular Formula: C15 H17 F N4 O3 Molecular Weight (g/mol): 320.32 Synonym: 1,8-Naphthyridine-3-carboxylic acid, 1-ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)- (9CI, ACI),1-Ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-1,8-naphthyridine-3-carboxylic acid (ACI),1-Ethyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid,1-Ethyl-6-fluoro-4-oxo-7-piperazin-4-ium-1-yl-1,8-naphthyridine-3-carboxylate,AT 2266,CI 919,Enofloxacin,Enofloxacine,Enoksetin,Enoxacine,ENOXOR,Flumark,MeSH ID: D015365,NSC 629661,PD 107779,Penetrex,Penetrex (pharmaceutical) IUPAC Name: 1-ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid SMILES: CCN1C=C(C(=O)O)C(=O)c2cc(F)c(nc12)N3CCNCC3
4-[(4-Chlorophenyl)methyl]-1(2H)-phthalazinone, TRC
CAS: 53242-88-9 Molecular Formula: C15 H11 Cl N2 O Molecular Weight (g/mol): 270.71 Synonym: 4-(4-Chlorobenzyl)phthalazin-1(2H)-one,Azelastine Hydrochloride Imp. D (EP) IUPAC Name: 4-[(4-chlorophenyl)methyl]-2H-phthalazin-1-one SMILES: Clc1ccc(CC2=NNC(=O)c3ccccc23)cc1
2-Amino-3,4,7,8-tetramethyl-3H-imidazo[4,5-f]quinoxaline, TRC
CAS: 132898-07-8 Molecular Formula: C13 H15 N5 Molecular Weight (g/mol): 241.29 Synonym: 3,4,7,8-Tetramethyl-3H-imidazo[4,5-f]quinoxalin-2-amine,2-Amino-3,4,7,8-tetramethyl-3H-imidazo[4,5-f]quinoxaline,2-Amino-3,4,7,8-tetramethylimidazo[4,5-f]quinoxaline,4,7,8-TriMeIQx IUPAC Name: 3,4,7,8-tetramethylimidazo[4,5-f]quinoxalin-2-amine SMILES: Cc1cc2nc(C)c(C)nc2c3nc(N)n(C)c13
Nalidixic Acid, TRC
CAS: 389-08-2 Molecular Formula: C12 H12 N2 O3 Molecular Weight (g/mol): 232.24 Synonym: Nalidixic acid,1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid,1,8-Naphthyridine-3-carboxylic acid, 1-ethyl-1,4-dihydro-7-methyl-4-oxo-1,4-Dihydro-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid,1-Ethyl-1,4-dihydro-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid,1-Ethyl-7-methyl-1,8-naphthyridin-4-one-3-carboxylic acid,1-Ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid,3-Carboxy-1-ethyl-7-methyl-1,8-naphthyridin-4-one,Betaxina,Cybis,Dixiben,Eucistin,Innoxalomn,NSC 82174,Nacid,Nalidic acid,Nalidicron,Nalidixan,Nalidixic acid,Nalidixin,Nalidixinic acid,Nalitucsan,Nalix,Nalurin,Narigix,Naxuril,NegGram,Nelidix,Nevigramon,Nicelate,Nogram,Poleon,Specifin,Uralgin,Uriben,Uriclar,Urisal,Urodixin,Uroman,Uroneg,Uropan,Win 18320,Wintomylon IUPAC Name: 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid SMILES: CCN1C=C(C(=O)O)C(=O)c2ccc(C)nc12
Cyadox, TRC
CAS: 65884-46-0 Molecular Formula: C12 H9 N5 O3 Molecular Weight (g/mol): 271.23 Synonym: Ciadox,Cyanoacetic Acid [(1,4-Dioxido-2-quinoxalinyl)methylene]hydrazide,Cyanoacetic Acid (2-Quinoxalinylmethylene)hydrazide, N,N'-Dioxide,2-Cyanoacetic Acid 2-[(1,4-Dioxido-2-quinoxalinyl)methylene]hydrazide IUPAC Name: 2-cyano-N-[(E)-(1,4-dioxidoquinoxaline-1,4-diium-2-yl)methylideneamino]acetamide SMILES: [O-][n+]1cc(\C=N\NC(=O)CC#N)[n+]([O-])c2ccccc12
7-Chloro-6-fluoro-1-(2,4-difluorophenyl)-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic Acid Ethyl Ester, TRC
CAS: 100491-29-0 Molecular Formula: C17H10ClF3N2O3 Molecular Weight (g/mol): 382.72 Synonym: 7-Chloro-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic Acid Ethyl Ester,Ethyl 1-(2,4-Difluorophenyl)-7-chloro-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylate IUPAC Name: ethyl 7-chloro-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate SMILES: CCOC(=O)C1=CN(c2ccc(F)cc2F)c3nc(Cl)c(F)cc3C1=O