ethyl 10-chloranyl-7-methyl-1-(4-methylphenyl)-6-oxidanylidene-11b-phenyl-5H-[1,2,4]triazolo[4,3-d][1,4]benzodiazepine-3-carboxylate

Systemtic Name: ethyl 10-chloranyl-7-methyl-1-(4-methylphenyl)-6-oxidanylidene-11b-phenyl-5H-[1,2,4]triazolo[4,3-d][1,4]benzodiazepine-3-carboxylate Openeye Name: ethyl 10-chloro-7-methyl-6-oxo-11b-phenyl-1-(p-tolyl)-5H-[1,2,4]triazolo[4,3-d][1,4]benzodiazepine-3-carboxylate CAS Name: 10-chloro-7-methyl-1-(4-methylphenyl)-6-oxo-11b-phenyl-5H-[1,2,4]triazolo[4,3-d][1,4]benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 10-chloro-7-methyl-1-(4-methylphenyl)-6-oxo-11b-phenyl-5H-[1,2,4]triazolo[4,3-d][1,4]benzodiazepine-3-carboxylate Traditional Name: 10-chloro-6-keto-7-methyl-11b-phenyl-1-(p-tolyl)-5H-[1,2,4]triazolo[4,3-d][1,4]benzodiazepine-3-carboxylic acid ethyl ester Formula: C27H25ClN4O3 MolecularWeight: 488.9654

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C2(N1CC(=O)N(C3=C2C=C(C=C3)Cl)C)C4=CC=CC=C4)C5=CC=C(C=C5)C

Isomeric SMILES

CCOC(=O)C1=NN(C2(N1CC(=O)N(C3=C2C=C(C=C3)Cl)C)C4=CC=CC=C4)C5=CC=C(C=C5)C

InChI

InChI=1S/C27H25ClN4O3/c1-4-35-26(34)25-29-32(21-13-10-18(2)11-14-21)27(19-8-6-5-7-9-19)22-16-20(28)12-15-23(22)30(3)24(33)17-31(25)27/h5-16H,4,17H2,1-3H3