2-[4-(4-chlorophenyl)carbonylpiperazin-1-yl]benzenecarbonitrile

Systemtic Name: 2-[4-(4-chlorophenyl)carbonylpiperazin-1-yl]benzenecarbonitrile Openeye Name: 2-[4-(4-chlorobenzoyl)piperazin-1-yl]benzonitrile CAS Name: 2-[4-[(4-chlorophenyl)-oxomethyl]-1-piperazinyl]benzonitrile IUPAC Name: 2-[4-(4-chlorobenzoyl)piperazin-1-yl]benzonitrile Traditional Name: 2-[4-(4-chlorobenzoyl)piperazino]benzonitrile Formula: C18H16ClN3O MolecularWeight: 325.79214

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2C#N)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2C#N)C(=O)C3=CC=C(C=C3)Cl

InChI

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