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

Systemtic Name: 3-[4-(3-chlorophenyl)piperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]benzonitrile CAS Name: 3-[[4-(3-chlorophenyl)-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]benzonitrile Traditional Name: 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]benzonitrile Formula: C18H16ClN3O MolecularWeight: 325.79214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClN3O/c19-16-5-2-6-17(12-16)21-7-9-22(10-8-21)18(23)15-4-1-3-14(11-15)13-20/h1-6,11-12H,7-10H2