4-[[4-[2-(2-chlorophenyl)-2-oxidanyl-ethyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[2-(2-chlorophenyl)-2-oxidanyl-ethyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-(2-chlorophenyl)-2-hydroxy-ethyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[2-(2-chlorophenyl)-2-hydroxyethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-(2-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-(2-chlorophenyl)-2-hydroxy-ethyl]piperazino]methyl]benzonitrile Formula: C20H22ClN3O MolecularWeight: 355.86118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)CC(C3=CC=CC=C3Cl)O

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)CC(C3=CC=CC=C3Cl)O

InChI

InChI=1S/C20H22ClN3O/c21-19-4-2-1-3-18(19)20(25)15-24-11-9-23(10-12-24)14-17-7-5-16(13-22)6-8-17/h1-8,20,25H,9-12,14-15H2