4-[[4-(3-chlorophenyl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(3-chlorophenyl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(3-chlorobenzoyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(3-chlorophenyl)-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(3-chlorobenzoyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(3-chlorobenzoyl)piperazino]methyl]benzonitrile Formula: C19H18ClN3O MolecularWeight: 339.81872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C19H18ClN3O/c20-18-3-1-2-17(12-18)19(24)23-10-8-22(9-11-23)14-16-6-4-15(13-21)5-7-16/h1-7,12H,8-11,14H2