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

Systemtic Name: 2-[4-(phenylcarbonyl)piperazin-1-yl]-2-pyridin-3-yl-ethanenitrile hydrochloride Openeye Name: 2-(4-benzoylpiperazin-1-yl)-2-(3-pyridyl)acetonitrile hydrochloride CAS Name: 2-(4-benzoyl-1-piperazinyl)-2-(3-pyridinyl)acetonitrile hydrochloride IUPAC Name: 2-(4-benzoylpiperazin-1-yl)-2-pyridin-3-ylacetonitrile hydrochloride Traditional Name: 2-(4-benzoylpiperazino)-2-(3-pyridyl)acetonitrile hydrochloride Formula: C18H19ClN4O MolecularWeight: 342.82266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O.ClH/c19-13-17(16-7-4-8-20-14-16)21-9-11-22(12-10-21)18(23)15-5-2-1-3-6-15;/h1-8,14,17H,9-12H2;1H