N-(2,5-dimethylphenyl)-3-ethanoyl-4-(4-ethyl-2-methyl-phenyl)-5-oxidanylidene-1,2-dihydro-2,4-benzodiazepine-3-carboxamide

Systemtic Name: N-(2,5-dimethylphenyl)-3-ethanoyl-4-(4-ethyl-2-methyl-phenyl)-5-oxidanylidene-1,2-dihydro-2,4-benzodiazepine-3-carboxamide Openeye Name: 3-acetyl-N-(2,5-dimethylphenyl)-4-(4-ethyl-2-methyl-phenyl)-5-oxo-1,2-dihydro-2,4-benzodiazepine-3-carboxamide CAS Name: 3-acetyl-N-(2,5-dimethylphenyl)-4-(4-ethyl-2-methylphenyl)-5-oxo-1,2-dihydro-2,4-benzodiazepine-3-carboxamide IUPAC Name: 3-acetyl-N-(2,5-dimethylphenyl)-4-(4-ethyl-2-methylphenyl)-5-oxo-1,2-dihydro-2,4-benzodiazepine-3-carboxamide Traditional Name: 3-acetyl-N-(2,5-dimethylphenyl)-4-(4-ethyl-2-methyl-phenyl)-5-keto-1,2-dihydro-2,4-benzodiazepine-3-carboxamide Formula: C29H31N3O3 MolecularWeight: 469.57474

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3CNC2(C(=O)C)C(=O)NC4=C(C=CC(=C4)C)C)C

Isomeric SMILES

CCC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3CNC2(C(=O)C)C(=O)NC4=C(C=CC(=C4)C)C)C

InChI

InChI=1S/C29H31N3O3/c1-6-22-13-14-26(20(4)16-22)32-27(34)24-10-8-7-9-23(24)17-30-29(32,21(5)33)28(35)31-25-15-18(2)11-12-19(25)3/h7-16,30H,6,17H2,1-5H3,(H,31,35)