3-[[3-[[1-(6-chloranylpyridin-2-yl)-2-oxidanylidene-pyridin-4-yl]methyl]imidazol-4-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[3-[[1-(6-chloranylpyridin-2-yl)-2-oxidanylidene-pyridin-4-yl]methyl]imidazol-4-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[3-[[1-(6-chloro-2-pyridyl)-2-oxo-4-pyridyl]methyl]imidazol-4-yl]methyl]benzonitrile CAS Name: 3-[[3-[[1-(6-chloro-2-pyridinyl)-2-oxo-4-pyridinyl]methyl]-4-imidazolyl]methyl]benzonitrile IUPAC Name: 3-[[3-[[1-(6-chloropyridin-2-yl)-2-oxopyridin-4-yl]methyl]imidazol-4-yl]methyl]benzonitrile Traditional Name: 3-[[3-[[1-(6-chloro-2-pyridyl)-2-keto-4-pyridyl]methyl]imidazol-4-yl]methyl]benzonitrile Formula: C22H16ClN5O MolecularWeight: 401.84834

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CC2=CN=CN2CC3=CC(=O)N(C=C3)C4=NC(=CC=C4)Cl)C#N

Isomeric SMILES

C1=CC(=CC(=C1)CC2=CN=CN2CC3=CC(=O)N(C=C3)C4=NC(=CC=C4)Cl)C#N

InChI

InChI=1S/C22H16ClN5O/c23-20-5-2-6-21(26-20)28-8-7-18(11-22(28)29)14-27-15-25-13-19(27)10-16-3-1-4-17(9-16)12-24/h1-9,11,13,15H,10,14H2