2-[4-[2-(3,3-diphenylpropylamino)ethanoyl]piperazin-1-yl]-2-pyridin-3-yl-ethanenitrile hydrochloride

Systemtic Name: 2-[4-[2-(3,3-diphenylpropylamino)ethanoyl]piperazin-1-yl]-2-pyridin-3-yl-ethanenitrile hydrochloride Openeye Name: 2-[4-[2-(3,3-diphenylpropylamino)acetyl]piperazin-1-yl]-2-(3-pyridyl)acetonitrile hydrochloride CAS Name: 2-[4-[2-(3,3-diphenylpropylamino)-1-oxoethyl]-1-piperazinyl]-2-(3-pyridinyl)acetonitrile hydrochloride IUPAC Name: 2-[4-[2-(3,3-diphenylpropylamino)acetyl]piperazin-1-yl]-2-pyridin-3-ylacetonitrile hydrochloride Traditional Name: 2-[4-[2-(3,3-diphenylpropylamino)acetyl]piperazino]-2-(3-pyridyl)acetonitrile hydrochloride Formula: C28H32ClN5O MolecularWeight: 490.03958

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C#N)C2=CN=CC=C2)C(=O)CNCCC(C3=CC=CC=C3)C4=CC=CC=C4.Cl

Isomeric SMILES

C1CN(CCN1C(C#N)C2=CN=CC=C2)C(=O)CNCCC(C3=CC=CC=C3)C4=CC=CC=C4.Cl

InChI

InChI=1S/C28H31N5O.ClH/c29-20-27(25-12-7-14-30-21-25)32-16-18-33(19-17-32)28(34)22-31-15-13-26(23-8-3-1-4-9-23)24-10-5-2-6-11-24;/h1-12,14,21,26-27,31H,13,15-19,22H2;1H