4-[[3-[(2-oxidanylidene-1-pyridin-2-yl-pyridin-4-yl)methyl]imidazol-4-yl]methyl]benzenecarbonitrile hydrochloride

Systemtic Name: 4-[[3-[(2-oxidanylidene-1-pyridin-2-yl-pyridin-4-yl)methyl]imidazol-4-yl]methyl]benzenecarbonitrile hydrochloride Openeye Name: 4-[[3-[[2-oxo-1-(2-pyridyl)-4-pyridyl]methyl]imidazol-4-yl]methyl]benzonitrile hydrochloride CAS Name: 4-[[3-[[2-oxo-1-(2-pyridinyl)-4-pyridinyl]methyl]-4-imidazolyl]methyl]benzonitrile hydrochloride IUPAC Name: 4-[[3-[(2-oxo-1-pyridin-2-ylpyridin-4-yl)methyl]imidazol-4-yl]methyl]benzonitrile hydrochloride Traditional Name: 4-[[3-[[2-keto-1-(2-pyridyl)-4-pyridyl]methyl]imidazol-4-yl]methyl]benzonitrile hydrochloride Formula: C22H18ClN5O MolecularWeight: 403.86422

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)N2C=CC(=CC2=O)CN3C=NC=C3CC4=CC=C(C=C4)C#N.Cl

Isomeric SMILES

C1=CC=NC(=C1)N2C=CC(=CC2=O)CN3C=NC=C3CC4=CC=C(C=C4)C#N.Cl

InChI

InChI=1S/C22H17N5O.ClH/c23-13-18-6-4-17(5-7-18)11-20-14-24-16-26(20)15-19-8-10-27(22(28)12-19)21-3-1-2-9-25-21;/h1-10,12,14,16H,11,15H2;1H