3-(4-chlorophenyl)-6-ethanoyl-7-methyl-1-phenyl-4,5-dihydro-1,2-diazepine-5-carboxylic acid

Systemtic Name: 3-(4-chlorophenyl)-6-ethanoyl-7-methyl-1-phenyl-4,5-dihydro-1,2-diazepine-5-carboxylic acid Openeye Name: 6-acetyl-3-(4-chlorophenyl)-7-methyl-1-phenyl-4,5-dihydrodiazepine-5-carboxylic acid CAS Name: 6-acetyl-3-(4-chlorophenyl)-7-methyl-1-phenyl-4,5-dihydrodiazepine-5-carboxylic acid IUPAC Name: 6-acetyl-3-(4-chlorophenyl)-7-methyl-1-phenyl-4,5-dihydrodiazepine-5-carboxylic acid Traditional Name: 6-acetyl-3-(4-chlorophenyl)-7-methyl-1-phenyl-4,5-dihydrodiazepine-5-carboxylic acid Formula: C21H19ClN2O3 MolecularWeight: 382.84016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CC(=NN1C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C(=O)O)C(=O)C

Isomeric SMILES

CC1=C(C(CC(=NN1C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C(=O)O)C(=O)C

InChI

InChI=1S/C21H19ClN2O3/c1-13-20(14(2)25)18(21(26)27)12-19(15-8-10-16(22)11-9-15)23-24(13)17-6-4-3-5-7-17/h3-11,18H,12H2,1-2H3,(H,26,27)