4-[4-(3-chlorophenyl)piperazin-1-yl]benzenecarbonitrile

Systemtic Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]benzenecarbonitrile Openeye Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]benzonitrile CAS Name: 4-[4-(3-chlorophenyl)-1-piperazinyl]benzonitrile IUPAC Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]benzonitrile Traditional Name: 4-[4-(3-chlorophenyl)piperazino]benzonitrile Formula: C17H16ClN3 MolecularWeight: 297.78204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)C#N)C3=CC(=CC=C3)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)C#N)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C17H16ClN3/c18-15-2-1-3-17(12-15)21-10-8-20(9-11-21)16-6-4-14(13-19)5-7-16/h1-7,12H,8-11H2