phenyl 7-[(3-azanyl-2,2-dimethyl-propyl)carbamoyl]-2-(4-methylphenyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-1-carboxylate

Systemtic Name: phenyl 7-[(3-azanyl-2,2-dimethyl-propyl)carbamoyl]-2-(4-methylphenyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-1-carboxylate Openeye Name: phenyl 7-[(3-amino-2,2-dimethyl-propyl)carbamoyl]-4-oxo-2-(p-tolyl)-3,5-dihydro-2H-1,5-benzodiazepine-1-carboxylate CAS Name: 7-[[(3-amino-2,2-dimethylpropyl)amino]-oxomethyl]-2-(4-methylphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-1-carboxylic acid phenyl ester IUPAC Name: phenyl 7-[(3-amino-2,2-dimethylpropyl)carbamoyl]-2-(4-methylphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-1-carboxylate Traditional Name: 7-[(3-amino-2,2-dimethyl-propyl)carbamoyl]-4-keto-2-(p-tolyl)-3,5-dihydro-2H-1,5-benzodiazepine-1-carboxylic acid phenyl ester Formula: C29H32N4O4 MolecularWeight: 500.58878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC(=O)NC3=C(N2C(=O)OC4=CC=CC=C4)C=CC(=C3)C(=O)NCC(C)(C)CN

Isomeric SMILES

CC1=CC=C(C=C1)C2CC(=O)NC3=C(N2C(=O)OC4=CC=CC=C4)C=CC(=C3)C(=O)NCC(C)(C)CN

InChI

InChI=1S/C29H32N4O4/c1-19-9-11-20(12-10-19)25-16-26(34)32-23-15-21(27(35)31-18-29(2,3)17-30)13-14-24(23)33(25)28(36)37-22-7-5-4-6-8-22/h4-15,25H,16-18,30H2,1-3H3,(H,31,35)(H,32,34)