2-[(1E,3E)-5-oxidanylidene-5-(4-pyridin-2-ylpiperazin-1-yl)penta-1,3-dienyl]benzenecarbonitrile hydrochloride

Systemtic Name: 2-[(1E,3E)-5-oxidanylidene-5-(4-pyridin-2-ylpiperazin-1-yl)penta-1,3-dienyl]benzenecarbonitrile hydrochloride Openeye Name: 2-[(1E,3E)-5-oxo-5-[4-(2-pyridyl)piperazin-1-yl]penta-1,3-dienyl]benzonitrile hydrochloride CAS Name: 2-[(1E,3E)-5-oxo-5-[4-(2-pyridinyl)-1-piperazinyl]penta-1,3-dienyl]benzonitrile hydrochloride IUPAC Name: 2-[(1E,3E)-5-oxo-5-(4-pyridin-2-ylpiperazin-1-yl)penta-1,3-dienyl]benzonitrile hydrochloride Traditional Name: 2-[(1E,3E)-5-keto-5-[4-(2-pyridyl)piperazino]penta-1,3-dienyl]benzonitrile hydrochloride Formula: C21H21ClN4O MolecularWeight: 380.87064

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C(=O)C=CC=CC3=CC=CC=C3C#N.Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C(=O)/C=C/C=C/C3=CC=CC=C3C#N.Cl

InChI

InChI=1S/C21H20N4O.ClH/c22-17-19-9-2-1-7-18(19)8-3-4-11-21(26)25-15-13-24(14-16-25)20-10-5-6-12-23-20;/h1-12H,13-16H2;1H/b8-3+,11-4+;