N-(2-azanylcyclohexyl)-1-(3-bromophenyl)carbonyl-2-cyclohexyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide

Systemtic Name: N-(2-azanylcyclohexyl)-1-(3-bromophenyl)carbonyl-2-cyclohexyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Openeye Name: N-(2-aminocyclohexyl)-1-(3-bromobenzoyl)-2-cyclohexyl-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide CAS Name: N-(2-aminocyclohexyl)-1-[(3-bromophenyl)-oxomethyl]-2-cyclohexyl-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide IUPAC Name: N-(2-aminocyclohexyl)-1-(3-bromobenzoyl)-2-cyclohexyl-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Traditional Name: N-(2-aminocyclohexyl)-1-(3-bromobenzoyl)-2-cyclohexyl-4-keto-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Formula: C29H35BrN4O3 MolecularWeight: 567.5172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2CC(=O)NC3=C(N2C(=O)C4=CC(=CC=C4)Br)C=CC(=C3)C(=O)NC5CCCCC5N

Isomeric SMILES

C1CCC(CC1)C2CC(=O)NC3=C(N2C(=O)C4=CC(=CC=C4)Br)C=CC(=C3)C(=O)NC5CCCCC5N

InChI

InChI=1S/C29H35BrN4O3/c30-21-10-6-9-20(15-21)29(37)34-25-14-13-19(28(36)33-23-12-5-4-11-22(23)31)16-24(25)32-27(35)17-26(34)18-7-2-1-3-8-18/h6,9-10,13-16,18,22-23,26H,1-5,7-8,11-12,17,31H2,(H,32,35)(H,33,36)