N-[2-(azepan-1-yl)-5-chloranyl-phenyl]-3-cyano-benzamide

Systemtic Name: N-[2-(azepan-1-yl)-5-chloranyl-phenyl]-3-cyano-benzamide Openeye Name: N-[2-(azepan-1-yl)-5-chloro-phenyl]-3-cyano-benzamide CAS Name: N-[2-(1-azepanyl)-5-chlorophenyl]-3-cyanobenzamide IUPAC Name: N-[2-(azepan-1-yl)-5-chlorophenyl]-3-cyanobenzamide Traditional Name: N-[2-(azepan-1-yl)-5-chloro-phenyl]-3-cyano-benzamide Formula: C20H20ClN3O MolecularWeight: 353.8453

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C20H20ClN3O/c21-17-8-9-19(24-10-3-1-2-4-11-24)18(13-17)23-20(25)16-7-5-6-15(12-16)14-22/h5-9,12-13H,1-4,10-11H2,(H,23,25)