N-[[3-(aminomethyl)cyclohexyl]methyl]-2-cyclohexyl-4-oxidanylidene-1-(phenylcarbonyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide

Systemtic Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-2-cyclohexyl-4-oxidanylidene-1-(phenylcarbonyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Openeye Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-1-benzoyl-2-cyclohexyl-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide CAS Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-1-benzoyl-2-cyclohexyl-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide IUPAC Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-1-benzoyl-2-cyclohexyl-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Traditional Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-1-benzoyl-2-cyclohexyl-4-keto-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Formula: C31H40N4O3 MolecularWeight: 516.6743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2CC(=O)NC3=C(N2C(=O)C4=CC=CC=C4)C=CC(=C3)C(=O)NCC5CCCC(C5)CN

Isomeric SMILES

C1CCC(CC1)C2CC(=O)NC3=C(N2C(=O)C4=CC=CC=C4)C=CC(=C3)C(=O)NCC5CCCC(C5)CN

InChI

InChI=1S/C31H40N4O3/c32-19-21-8-7-9-22(16-21)20-33-30(37)25-14-15-27-26(17-25)34-29(36)18-28(23-10-3-1-4-11-23)35(27)31(38)24-12-5-2-6-13-24/h2,5-6,12-15,17,21-23,28H,1,3-4,7-11,16,18-20,32H2,(H,33,37)(H,34,36)