(phenylmethyl) 3-azanyl-7-methyl-5-[2-(2-methylphenyl)-2-oxidanylidene-ethyl]-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepine-1-carboxylate

Systemtic Name: (phenylmethyl) 3-azanyl-7-methyl-5-[2-(2-methylphenyl)-2-oxidanylidene-ethyl]-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepine-1-carboxylate Openeye Name: benzyl 3-amino-7-methyl-5-[2-(o-tolyl)-2-oxo-ethyl]-4-oxo-2,3-dihydro-1,5-benzodiazepine-1-carboxylate CAS Name: 3-amino-7-methyl-5-[2-(2-methylphenyl)-2-oxoethyl]-4-oxo-2,3-dihydro-1,5-benzodiazepine-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-amino-7-methyl-5-[2-(2-methylphenyl)-2-oxoethyl]-4-oxo-2,3-dihydro-1,5-benzodiazepine-1-carboxylate Traditional Name: 3-amino-4-keto-5-[2-keto-2-(o-tolyl)ethyl]-7-methyl-2,3-dihydro-1,5-benzodiazepine-1-carboxylic acid benzyl ester Formula: C27H27N3O4 MolecularWeight: 457.52098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(CC(C(=O)N2CC(=O)C3=CC=CC=C3C)N)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)N(CC(C(=O)N2CC(=O)C3=CC=CC=C3C)N)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H27N3O4/c1-18-12-13-23-24(14-18)29(16-25(31)21-11-7-6-8-19(21)2)26(32)22(28)15-30(23)27(33)34-17-20-9-4-3-5-10-20/h3-14,22H,15-17,28H2,1-2H3