2-[1-(6-chloranylpyridin-3-yl)-2-oxidanylidene-5-pyridin-2-yl-pyridin-3-yl]benzenecarbonitrile

Systemtic Name: 2-[1-(6-chloranylpyridin-3-yl)-2-oxidanylidene-5-pyridin-2-yl-pyridin-3-yl]benzenecarbonitrile Openeye Name: 2-[1-(6-chloro-3-pyridyl)-2-oxo-5-(2-pyridyl)-3-pyridyl]benzonitrile CAS Name: 2-[1-(6-chloro-3-pyridinyl)-2-oxo-5-(2-pyridinyl)-3-pyridinyl]benzonitrile IUPAC Name: 2-[1-(6-chloropyridin-3-yl)-2-oxo-5-pyridin-2-ylpyridin-3-yl]benzonitrile Traditional Name: 2-[1-(6-chloro-3-pyridyl)-2-keto-5-(2-pyridyl)-3-pyridyl]benzonitrile Formula: C22H13ClN4O MolecularWeight: 384.81782

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)C2=CC(=CN(C2=O)C3=CN=C(C=C3)Cl)C4=CC=CC=N4

Isomeric SMILES

C1=CC=C(C(=C1)C#N)C2=CC(=CN(C2=O)C3=CN=C(C=C3)Cl)C4=CC=CC=N4

InChI

InChI=1S/C22H13ClN4O/c23-21-9-8-17(13-26-21)27-14-16(20-7-3-4-10-25-20)11-19(22(27)28)18-6-2-1-5-15(18)12-24/h1-11,13-14H