2-[4-[3-phenyl-2-(phenylmethyl)propanoyl]piperazin-1-yl]-2-pyridin-3-yl-ethanenitrile chloride

Systemtic Name: 2-[4-[3-phenyl-2-(phenylmethyl)propanoyl]piperazin-1-yl]-2-pyridin-3-yl-ethanenitrile chloride Openeye Name: 2-[4-(2-benzyl-3-phenyl-propanoyl)piperazin-1-yl]-2-(3-pyridyl)acetonitrile chloride CAS Name: 2-[4-[1-oxo-3-phenyl-2-(phenylmethyl)propyl]-1-piperazinyl]-2-(3-pyridinyl)acetonitrile chloride IUPAC Name: 2-[4-(2-benzyl-3-phenylpropanoyl)piperazin-1-yl]-2-pyridin-3-ylacetonitrile chloride Traditional Name: 2-[4-(2-benzyl-3-phenyl-propanoyl)piperazino]-2-(3-pyridyl)acetonitrile chloride Formula: C27H28ClN4O- MolecularWeight: 459.99042

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C#N)C2=CN=CC=C2)C(=O)C(CC3=CC=CC=C3)CC4=CC=CC=C4.[Cl-]

Isomeric SMILES

C1CN(CCN1C(C#N)C2=CN=CC=C2)C(=O)C(CC3=CC=CC=C3)CC4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C27H28N4O.ClH/c28-20-26(24-12-7-13-29-21-24)30-14-16-31(17-15-30)27(32)25(18-22-8-3-1-4-9-22)19-23-10-5-2-6-11-23;/h1-13,21,25-26H,14-19H2;1H/p-1