N-[[3-(aminomethyl)cyclohexyl]methyl]-2-(4-methylphenyl)-4-oxidanylidene-1-pyridin-4-ylcarbonyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide

Systemtic Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-2-(4-methylphenyl)-4-oxidanylidene-1-pyridin-4-ylcarbonyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Openeye Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-oxo-2-(p-tolyl)-1-(pyridine-4-carbonyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide CAS Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-2-(4-methylphenyl)-4-oxo-1-[oxo(pyridin-4-yl)methyl]-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide IUPAC Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-2-(4-methylphenyl)-4-oxo-1-(pyridine-4-carbonyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Traditional Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-1-isonicotinoyl-4-keto-2-(p-tolyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Formula: C31H35N5O3 MolecularWeight: 525.6413

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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)NCC5CCCC(C5)CN

Isomeric SMILES

CC1=CC=C(C=C1)C2CC(=O)NC3=C(N2C(=O)C4=CC=NC=C4)C=CC(=C3)C(=O)NCC5CCCC(C5)CN

InChI

InChI=1S/C31H35N5O3/c1-20-5-7-23(8-6-20)28-17-29(37)35-26-16-25(30(38)34-19-22-4-2-3-21(15-22)18-32)9-10-27(26)36(28)31(39)24-11-13-33-14-12-24/h5-14,16,21-22,28H,2-4,15,17-19,32H2,1H3,(H,34,38)(H,35,37)