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

Systemtic Name: 2-[4-[2-[(diphenylmethyl)amino]ethanoyl]piperazin-1-yl]-2-pyridin-3-yl-ethanenitrile chloride Openeye Name: 2-[4-[2-(benzhydrylamino)acetyl]piperazin-1-yl]-2-(3-pyridyl)acetonitrile chloride CAS Name: 2-[4-[2-[(diphenylmethyl)amino]-1-oxoethyl]-1-piperazinyl]-2-(3-pyridinyl)acetonitrile chloride IUPAC Name: 2-[4-[2-(benzhydrylamino)acetyl]piperazin-1-yl]-2-pyridin-3-ylacetonitrile chloride Traditional Name: 2-[4-[2-(benzhydrylamino)acetyl]piperazino]-2-(3-pyridyl)acetonitrile chloride Formula: C26H27ClN5O- MolecularWeight: 460.97848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27N5O.ClH/c27-18-24(23-12-7-13-28-19-23)30-14-16-31(17-15-30)25(32)20-29-26(21-8-3-1-4-9-21)22-10-5-2-6-11-22;/h1-13,19,24,26,29H,14-17,20H2;1H/p-1