2-[4-(phenylcarbonyl)piperazin-1-yl]-2-pyridin-3-yl-ethanenitrile chloride

Systemtic Name: 2-[4-(phenylcarbonyl)piperazin-1-yl]-2-pyridin-3-yl-ethanenitrile chloride Openeye Name: 2-(4-benzoylpiperazin-1-yl)-2-(3-pyridyl)acetonitrile chloride CAS Name: 2-(4-benzoyl-1-piperazinyl)-2-(3-pyridinyl)acetonitrile chloride IUPAC Name: 2-(4-benzoylpiperazin-1-yl)-2-pyridin-3-ylacetonitrile chloride Traditional Name: 2-(4-benzoylpiperazino)-2-(3-pyridyl)acetonitrile chloride Formula: C18H18ClN4O- MolecularWeight: 341.81472

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C#N)C2=CN=CC=C2)C(=O)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

C1CN(CCN1C(C#N)C2=CN=CC=C2)C(=O)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C18H18N4O.ClH/c19-13-17(16-7-4-8-20-14-16)21-9-11-22(12-10-21)18(23)15-5-2-1-3-6-15;/h1-8,14,17H,9-12H2;1H/p-1