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

Systemtic Name: N-(3-azanyl-2,2-dimethyl-propyl)-2-(4-methylphenyl)-4-oxidanylidene-1-pyridin-4-ylcarbonyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Openeye Name: N-(3-amino-2,2-dimethyl-propyl)-4-oxo-2-(p-tolyl)-1-(pyridine-4-carbonyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide CAS Name: N-(3-amino-2,2-dimethylpropyl)-2-(4-methylphenyl)-4-oxo-1-[oxo(pyridin-4-yl)methyl]-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide IUPAC Name: N-(3-amino-2,2-dimethylpropyl)-2-(4-methylphenyl)-4-oxo-1-(pyridine-4-carbonyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Traditional Name: N-(3-amino-2,2-dimethyl-propyl)-1-isonicotinoyl-4-keto-2-(p-tolyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Formula: C28H31N5O3 MolecularWeight: 485.57744

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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)NCC(C)(C)CN

Isomeric SMILES

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

InChI

InChI=1S/C28H31N5O3/c1-18-4-6-19(7-5-18)24-15-25(34)32-22-14-21(26(35)31-17-28(2,3)16-29)8-9-23(22)33(24)27(36)20-10-12-30-13-11-20/h4-14,24H,15-17,29H2,1-3H3,(H,31,35)(H,32,34)