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

Systemtic Name: 2-[4-[2-(1,2-diphenylethylamino)ethanoyl]piperazin-1-yl]-2-pyridin-3-yl-ethanenitrile chloride Openeye Name: 2-[4-[2-(1,2-diphenylethylamino)acetyl]piperazin-1-yl]-2-(3-pyridyl)acetonitrile chloride CAS Name: 2-[4-[2-(1,2-diphenylethylamino)-1-oxoethyl]-1-piperazinyl]-2-(3-pyridinyl)acetonitrile chloride IUPAC Name: 2-[4-[2-(1,2-diphenylethylamino)acetyl]piperazin-1-yl]-2-pyridin-3-ylacetonitrile chloride Traditional Name: 2-[4-[2-(1,2-diphenylethylamino)acetyl]piperazino]-2-(3-pyridyl)acetonitrile chloride Formula: C27H29ClN5O- MolecularWeight: 475.00506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29N5O.ClH/c28-19-26(24-12-7-13-29-20-24)31-14-16-32(17-15-31)27(33)21-30-25(23-10-5-2-6-11-23)18-22-8-3-1-4-9-22;/h1-13,20,25-26,30H,14-18,21H2;1H/p-1