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

Systemtic Name: 2-[4-(2-phenylpropanoyl)piperazin-1-yl]-2-pyridin-3-yl-ethanenitrile chloride Openeye Name: 2-[4-(2-phenylpropanoyl)piperazin-1-yl]-2-(3-pyridyl)acetonitrile chloride CAS Name: 2-[4-(1-oxo-2-phenylpropyl)-1-piperazinyl]-2-(3-pyridinyl)acetonitrile chloride IUPAC Name: 2-[4-(2-phenylpropanoyl)piperazin-1-yl]-2-pyridin-3-ylacetonitrile chloride Traditional Name: 2-(4-hydratropoylpiperazino)-2-(3-pyridyl)acetonitrile chloride Formula: C20H22ClN4O- MolecularWeight: 369.86788

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)C(=O)N2CCN(CC2)C(C#N)C3=CN=CC=C3.[Cl-]

Isomeric SMILES

CC(C1=CC=CC=C1)C(=O)N2CCN(CC2)C(C#N)C3=CN=CC=C3.[Cl-]

InChI

InChI=1S/C20H22N4O.ClH/c1-16(17-6-3-2-4-7-17)20(25)24-12-10-23(11-13-24)19(14-21)18-8-5-9-22-15-18;/h2-9,15-16,19H,10-13H2,1H3;1H/p-1