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

Systemtic Name: 2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]-2-pyridin-4-yl-ethanenitrile hydrochloride Openeye Name: 2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]-2-(4-pyridyl)acetonitrile hydrochloride CAS Name: 2-[4-(1-oxo-3,3-diphenylpropyl)-1-piperazinyl]-2-pyridin-4-ylacetonitrile hydrochloride IUPAC Name: 2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]-2-pyridin-4-ylacetonitrile hydrochloride Traditional Name: 2-[4-(3,3-diphenylpropanoyl)piperazino]-2-(4-pyridyl)acetonitrile hydrochloride Formula: C26H27ClN4O MolecularWeight: 446.97178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26N4O.ClH/c27-20-25(23-11-13-28-14-12-23)29-15-17-30(18-16-29)26(31)19-24(21-7-3-1-4-8-21)22-9-5-2-6-10-22;/h1-14,24-25H,15-19H2;1H