4-(3-cyanophenyl)carbonyl-N-(cyclopropylmethyl)-1,4-diazepane-1-carboxamide

Systemtic Name: 4-(3-cyanophenyl)carbonyl-N-(cyclopropylmethyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-(3-cyanobenzoyl)-N-(cyclopropylmethyl)-1,4-diazepane-1-carboxamide CAS Name: 4-[(3-cyanophenyl)-oxomethyl]-N-(cyclopropylmethyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-(3-cyanobenzoyl)-N-(cyclopropylmethyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(3-cyanobenzoyl)-N-(cyclopropylmethyl)-1,4-diazepane-1-carboxamide Formula: C18H22N4O2 MolecularWeight: 326.39288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)NCC2CC2)C(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

C1CN(CCN(C1)C(=O)NCC2CC2)C(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C18H22N4O2/c19-12-15-3-1-4-16(11-15)17(23)21-7-2-8-22(10-9-21)18(24)20-13-14-5-6-14/h1,3-4,11,14H,2,5-10,13H2,(H,20,24)