N-(2-azanylcyclohexyl)-2-(4-methylphenyl)-4-oxidanylidene-1-pyridin-4-ylcarbonyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide

Systemtic Name: N-(2-azanylcyclohexyl)-2-(4-methylphenyl)-4-oxidanylidene-1-pyridin-4-ylcarbonyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Openeye Name: N-(2-aminocyclohexyl)-4-oxo-2-(p-tolyl)-1-(pyridine-4-carbonyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide CAS Name: N-(2-aminocyclohexyl)-2-(4-methylphenyl)-4-oxo-1-[oxo(pyridin-4-yl)methyl]-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide IUPAC Name: N-(2-aminocyclohexyl)-2-(4-methylphenyl)-4-oxo-1-(pyridine-4-carbonyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Traditional Name: N-(2-aminocyclohexyl)-1-isonicotinoyl-4-keto-2-(p-tolyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Formula: C29H31N5O3 MolecularWeight: 497.58814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC(=O)NC3=C(N2C(=O)C4=CC=NC=C4)C=CC(=C3)C(=O)NC5CCCCC5N

Isomeric SMILES

CC1=CC=C(C=C1)C2CC(=O)NC3=C(N2C(=O)C4=CC=NC=C4)C=CC(=C3)C(=O)NC5CCCCC5N

InChI

InChI=1S/C29H31N5O3/c1-18-6-8-19(9-7-18)26-17-27(35)32-24-16-21(28(36)33-23-5-3-2-4-22(23)30)10-11-25(24)34(26)29(37)20-12-14-31-15-13-20/h6-16,22-23,26H,2-5,17,30H2,1H3,(H,32,35)(H,33,36)