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

Systemtic Name: N-(3-azanyl-2,2-dimethyl-propyl)-1-(3-methylbutanoyl)-2-(4-methylphenyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Openeye Name: N-(3-amino-2,2-dimethyl-propyl)-1-(3-methylbutanoyl)-4-oxo-2-(p-tolyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide CAS Name: N-(3-amino-2,2-dimethylpropyl)-1-(3-methyl-1-oxobutyl)-2-(4-methylphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide IUPAC Name: N-(3-amino-2,2-dimethylpropyl)-1-(3-methylbutanoyl)-2-(4-methylphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Traditional Name: N-(3-amino-2,2-dimethyl-propyl)-1-isovaleryl-4-keto-2-(p-tolyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Formula: C27H36N4O3 MolecularWeight: 464.59974

Click to see the large picture

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)NCC(C)(C)CN

Isomeric SMILES

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

InChI

InChI=1S/C27H36N4O3/c1-17(2)12-25(33)31-22-11-10-20(26(34)29-16-27(4,5)15-28)13-21(22)30-24(32)14-23(31)19-8-6-18(3)7-9-19/h6-11,13,17,23H,12,14-16,28H2,1-5H3,(H,29,34)(H,30,32)