phenyl 7-(1,4-diazepan-1-ylcarbonyl)-2-(4-methylphenyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-1-carboxylate

Systemtic Name: phenyl 7-(1,4-diazepan-1-ylcarbonyl)-2-(4-methylphenyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-1-carboxylate Openeye Name: phenyl 7-(1,4-diazepane-1-carbonyl)-4-oxo-2-(p-tolyl)-3,5-dihydro-2H-1,5-benzodiazepine-1-carboxylate CAS Name: 7-[1,4-diazepan-1-yl(oxo)methyl]-2-(4-methylphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-1-carboxylic acid phenyl ester IUPAC Name: phenyl 7-(1,4-diazepane-1-carbonyl)-2-(4-methylphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-1-carboxylate Traditional Name: 7-(1,4-diazepane-1-carbonyl)-4-keto-2-(p-tolyl)-3,5-dihydro-2H-1,5-benzodiazepine-1-carboxylic acid phenyl ester Formula: C29H30N4O4 MolecularWeight: 498.5729

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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)N5CCCNCC5

Isomeric SMILES

CC1=CC=C(C=C1)C2CC(=O)NC3=C(N2C(=O)OC4=CC=CC=C4)C=CC(=C3)C(=O)N5CCCNCC5

InChI

InChI=1S/C29H30N4O4/c1-20-8-10-21(11-9-20)26-19-27(34)31-24-18-22(28(35)32-16-5-14-30-15-17-32)12-13-25(24)33(26)29(36)37-23-6-3-2-4-7-23/h2-4,6-13,18,26,30H,5,14-17,19H2,1H3,(H,31,34)