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

Systemtic Name: N-(2-azanylcyclohexyl)-1-(3-methylbutanoyl)-2-(4-methylphenyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Openeye Name: N-(2-aminocyclohexyl)-1-(3-methylbutanoyl)-4-oxo-2-(p-tolyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide CAS Name: N-(2-aminocyclohexyl)-1-(3-methyl-1-oxobutyl)-2-(4-methylphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide IUPAC Name: N-(2-aminocyclohexyl)-1-(3-methylbutanoyl)-2-(4-methylphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Traditional Name: N-(2-aminocyclohexyl)-1-isovaleryl-4-keto-2-(p-tolyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Formula: C28H36N4O3 MolecularWeight: 476.61044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC(=O)NC3=C(N2C(=O)CC(C)C)C=CC(=C3)C(=O)NC4CCCCC4N

Isomeric SMILES

CC1=CC=C(C=C1)C2CC(=O)NC3=C(N2C(=O)CC(C)C)C=CC(=C3)C(=O)NC4CCCCC4N

InChI

InChI=1S/C28H36N4O3/c1-17(2)14-27(34)32-24-13-12-20(28(35)31-22-7-5-4-6-21(22)29)15-23(24)30-26(33)16-25(32)19-10-8-18(3)9-11-19/h8-13,15,17,21-22,25H,4-7,14,16,29H2,1-3H3,(H,30,33)(H,31,35)