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

Systemtic Name: 2-[4-[2-(2,2-diphenylethylamino)ethanoyl]piperazin-1-yl]-2-pyridin-3-yl-ethanenitrile hydrochloride Openeye Name: 2-[4-[2-(2,2-diphenylethylamino)acetyl]piperazin-1-yl]-2-(3-pyridyl)acetonitrile hydrochloride CAS Name: 2-[4-[2-(2,2-diphenylethylamino)-1-oxoethyl]-1-piperazinyl]-2-(3-pyridinyl)acetonitrile hydrochloride IUPAC Name: 2-[4-[2-(2,2-diphenylethylamino)acetyl]piperazin-1-yl]-2-pyridin-3-ylacetonitrile hydrochloride Traditional Name: 2-[4-[2-(2,2-diphenylethylamino)acetyl]piperazino]-2-(3-pyridyl)acetonitrile hydrochloride Formula: C27H30ClN5O MolecularWeight: 476.013

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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