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

Systemtic Name: N-(4-azanylcyclohexyl)-2-cyclohexyl-4-oxidanylidene-1-(phenylcarbonyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Openeye Name: N-(4-aminocyclohexyl)-1-benzoyl-2-cyclohexyl-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-benzoyl-2-cyclohexyl-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide IUPAC Name: N-(4-aminocyclohexyl)-1-benzoyl-2-cyclohexyl-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Traditional Name: N-(4-aminocyclohexyl)-1-benzoyl-2-cyclohexyl-4-keto-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Formula: C29H36N4O3 MolecularWeight: 488.62114

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2CC(=O)NC3=C(N2C(=O)C4=CC=CC=C4)C=CC(=C3)C(=O)NC5CCC(CC5)N

Isomeric SMILES

C1CCC(CC1)C2CC(=O)NC3=C(N2C(=O)C4=CC=CC=C4)C=CC(=C3)C(=O)NC5CCC(CC5)N

InChI

InChI=1S/C29H36N4O3/c30-22-12-14-23(15-13-22)31-28(35)21-11-16-25-24(17-21)32-27(34)18-26(19-7-3-1-4-8-19)33(25)29(36)20-9-5-2-6-10-20/h2,5-6,9-11,16-17,19,22-23,26H,1,3-4,7-8,12-15,18,30H2,(H,31,35)(H,32,34)