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

Systemtic Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]benzonitrile CAS Name: 4-[[4-(3-chlorophenyl)-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]benzonitrile Traditional Name: 4-[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=C(C=C3)C#N

Isomeric SMILES

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

InChI

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