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

Systemtic Name: 2-[4-(2,2-diphenylpropanoyl)piperazin-1-yl]-2-pyridin-3-yl-ethanenitrile chloride Openeye Name: 2-[4-(2,2-diphenylpropanoyl)piperazin-1-yl]-2-(3-pyridyl)acetonitrile chloride CAS Name: 2-[4-(1-oxo-2,2-diphenylpropyl)-1-piperazinyl]-2-(3-pyridinyl)acetonitrile chloride IUPAC Name: 2-[4-(2,2-diphenylpropanoyl)piperazin-1-yl]-2-pyridin-3-ylacetonitrile chloride Traditional Name: 2-[4-(2,2-diphenylpropanoyl)piperazino]-2-(3-pyridyl)acetonitrile chloride Formula: C26H26ClN4O- MolecularWeight: 445.96384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)N3CCN(CC3)C(C#N)C4=CN=CC=C4.[Cl-]

Isomeric SMILES

CC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)N3CCN(CC3)C(C#N)C4=CN=CC=C4.[Cl-]

InChI

InChI=1S/C26H26N4O.ClH/c1-26(22-10-4-2-5-11-22,23-12-6-3-7-13-23)25(31)30-17-15-29(16-18-30)24(19-27)21-9-8-14-28-20-21;/h2-14,20,24H,15-18H2,1H3;1H/p-1