2-(4-naphthalen-2-ylcarbonylpiperazin-1-yl)-2-pyridin-3-yl-ethanenitrile hydrochloride

Systemtic Name: 2-(4-naphthalen-2-ylcarbonylpiperazin-1-yl)-2-pyridin-3-yl-ethanenitrile hydrochloride Openeye Name: 2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]-2-(3-pyridyl)acetonitrile hydrochloride CAS Name: 2-[4-[2-naphthalenyl(oxo)methyl]-1-piperazinyl]-2-(3-pyridinyl)acetonitrile hydrochloride IUPAC Name: 2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]-2-pyridin-3-ylacetonitrile hydrochloride Traditional Name: 2-[4-(2-naphthoyl)piperazino]-2-(3-pyridyl)acetonitrile hydrochloride Formula: C22H21ClN4O MolecularWeight: 392.88134

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C#N)C2=CN=CC=C2)C(=O)C3=CC4=CC=CC=C4C=C3.Cl

Isomeric SMILES

C1CN(CCN1C(C#N)C2=CN=CC=C2)C(=O)C3=CC4=CC=CC=C4C=C3.Cl

InChI

InChI=1S/C22H20N4O.ClH/c23-15-21(20-6-3-9-24-16-20)25-10-12-26(13-11-25)22(27)19-8-7-17-4-1-2-5-18(17)14-19;/h1-9,14,16,21H,10-13H2;1H