2-[4-[2-(4-chlorophenyl)-2-cyano-ethyl]-1,4-diazepan-1-yl]-N-phenyl-ethanamide

Systemtic Name: 2-[4-[2-(4-chlorophenyl)-2-cyano-ethyl]-1,4-diazepan-1-yl]-N-phenyl-ethanamide Openeye Name: 2-[4-[2-(4-chlorophenyl)-2-cyano-ethyl]-1,4-diazepan-1-yl]-N-phenyl-acetamide CAS Name: 2-[4-[2-(4-chlorophenyl)-2-cyanoethyl]-1,4-diazepan-1-yl]-N-phenylacetamide IUPAC Name: 2-[4-[2-(4-chlorophenyl)-2-cyanoethyl]-1,4-diazepan-1-yl]-N-phenylacetamide Traditional Name: 2-[4-[2-(4-chlorophenyl)-2-cyano-ethyl]-1,4-diazepan-1-yl]-N-phenyl-acetamide Formula: C22H25ClN4O MolecularWeight: 396.9131

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)CC(=O)NC2=CC=CC=C2)CC(C#N)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CCN(C1)CC(=O)NC2=CC=CC=C2)CC(C#N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H25ClN4O/c23-20-9-7-18(8-10-20)19(15-24)16-26-11-4-12-27(14-13-26)17-22(28)25-21-5-2-1-3-6-21/h1-3,5-10,19H,4,11-14,16-17H2,(H,25,28)