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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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