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

Systemtic Name: 2-[4-(3-phenylpropanoyl)piperazin-1-yl]-2-pyridin-3-yl-ethanenitrile hydrochloride Openeye Name: 2-[4-(3-phenylpropanoyl)piperazin-1-yl]-2-(3-pyridyl)acetonitrile hydrochloride CAS Name: 2-[4-(1-oxo-3-phenylpropyl)-1-piperazinyl]-2-(3-pyridinyl)acetonitrile hydrochloride IUPAC Name: 2-[4-(3-phenylpropanoyl)piperazin-1-yl]-2-pyridin-3-ylacetonitrile hydrochloride Traditional Name: 2-(4-hydrocinnamoylpiperazino)-2-(3-pyridyl)acetonitrile hydrochloride Formula: C20H23ClN4O MolecularWeight: 370.87582

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C#N)C2=CN=CC=C2)C(=O)CCC3=CC=CC=C3.Cl

Isomeric SMILES

C1CN(CCN1C(C#N)C2=CN=CC=C2)C(=O)CCC3=CC=CC=C3.Cl

InChI

InChI=1S/C20H22N4O.ClH/c21-15-19(18-7-4-10-22-16-18)23-11-13-24(14-12-23)20(25)9-8-17-5-2-1-3-6-17;/h1-7,10,16,19H,8-9,11-14H2;1H