N-(3-azanyl-2,2-dimethyl-propyl)-1-(4-cyanophenyl)carbonyl-2-cyclohexyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide

Systemtic Name: N-(3-azanyl-2,2-dimethyl-propyl)-1-(4-cyanophenyl)carbonyl-2-cyclohexyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Openeye Name: N-(3-amino-2,2-dimethyl-propyl)-1-(4-cyanobenzoyl)-2-cyclohexyl-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide CAS Name: N-(3-amino-2,2-dimethylpropyl)-1-[(4-cyanophenyl)-oxomethyl]-2-cyclohexyl-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide IUPAC Name: N-(3-amino-2,2-dimethylpropyl)-1-(4-cyanobenzoyl)-2-cyclohexyl-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Traditional Name: N-(3-amino-2,2-dimethyl-propyl)-1-(4-cyanobenzoyl)-2-cyclohexyl-4-keto-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Formula: C29H35N5O3 MolecularWeight: 501.6199

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CN)CNC(=O)C1=CC2=C(C=C1)N(C(CC(=O)N2)C3CCCCC3)C(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

CC(C)(CN)CNC(=O)C1=CC2=C(C=C1)N(C(CC(=O)N2)C3CCCCC3)C(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C29H35N5O3/c1-29(2,17-31)18-32-27(36)22-12-13-24-23(14-22)33-26(35)15-25(20-6-4-3-5-7-20)34(24)28(37)21-10-8-19(16-30)9-11-21/h8-14,20,25H,3-7,15,17-18,31H2,1-2H3,(H,32,36)(H,33,35)