4-[4-(3-chlorophenyl)carbonylpiperazin-1-yl]benzenecarbonitrile

Systemtic Name: 4-[4-(3-chlorophenyl)carbonylpiperazin-1-yl]benzenecarbonitrile Openeye Name: 4-[4-(3-chlorobenzoyl)piperazin-1-yl]benzonitrile CAS Name: 4-[4-[(3-chlorophenyl)-oxomethyl]-1-piperazinyl]benzonitrile IUPAC Name: 4-[4-(3-chlorobenzoyl)piperazin-1-yl]benzonitrile Traditional Name: 4-[4-(3-chlorobenzoyl)piperazino]benzonitrile Formula: C18H16ClN3O MolecularWeight: 325.79214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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