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

Systemtic Name: 2-[4-[2-(1-phenylethylamino)ethanoyl]piperazin-1-yl]-2-pyridin-3-yl-ethanenitrile chloride Openeye Name: 2-[4-[2-(1-phenylethylamino)acetyl]piperazin-1-yl]-2-(3-pyridyl)acetonitrile chloride CAS Name: 2-[4-[1-oxo-2-(1-phenylethylamino)ethyl]-1-piperazinyl]-2-(3-pyridinyl)acetonitrile chloride IUPAC Name: 2-[4-[2-(1-phenylethylamino)acetyl]piperazin-1-yl]-2-pyridin-3-ylacetonitrile chloride Traditional Name: 2-[4-[2-(1-phenylethylamino)acetyl]piperazino]-2-(3-pyridyl)acetonitrile chloride Formula: C21H25ClN5O- MolecularWeight: 398.9091

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5O.ClH/c1-17(18-6-3-2-4-7-18)24-16-21(27)26-12-10-25(11-13-26)20(14-22)19-8-5-9-23-15-19;/h2-9,15,17,20,24H,10-13,16H2,1H3;1H/p-1