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

Systemtic Name: N-(2-azanylcyclohexyl)-1-(3-methylbutanoyl)-4-oxidanylidene-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Openeye Name: N-(2-aminocyclohexyl)-1-(3-methylbutanoyl)-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide CAS Name: N-(2-aminocyclohexyl)-1-(3-methyl-1-oxobutyl)-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide IUPAC Name: N-(2-aminocyclohexyl)-1-(3-methylbutanoyl)-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Traditional Name: N-(2-aminocyclohexyl)-1-isovaleryl-4-keto-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Formula: C27H34N4O3 MolecularWeight: 462.58386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1C(CC(=O)NC2=C1C=CC(=C2)C(=O)NC3CCCCC3N)C4=CC=CC=C4

Isomeric SMILES

CC(C)CC(=O)N1C(CC(=O)NC2=C1C=CC(=C2)C(=O)NC3CCCCC3N)C4=CC=CC=C4

InChI

InChI=1S/C27H34N4O3/c1-17(2)14-26(33)31-23-13-12-19(27(34)30-21-11-7-6-10-20(21)28)15-22(23)29-25(32)16-24(31)18-8-4-3-5-9-18/h3-5,8-9,12-13,15,17,20-21,24H,6-7,10-11,14,16,28H2,1-2H3,(H,29,32)(H,30,34)