2-[4-(3-chlorophenyl)piperazin-1-yl]benzenecarbonitrile

Systemtic Name: 2-[4-(3-chlorophenyl)piperazin-1-yl]benzenecarbonitrile Openeye Name: 2-[4-(3-chlorophenyl)piperazin-1-yl]benzonitrile CAS Name: 2-[4-(3-chlorophenyl)-1-piperazinyl]benzonitrile IUPAC Name: 2-[4-(3-chlorophenyl)piperazin-1-yl]benzonitrile Traditional Name: 2-[4-(3-chlorophenyl)piperazino]benzonitrile Formula: C17H16ClN3 MolecularWeight: 297.78204

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C3=CC=CC=C3C#N

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C3=CC=CC=C3C#N

InChI

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