3-(2-oxidanylidene-5-pyridin-2-yl-1-pyridin-3-yl-pyridin-3-yl)pyridine-2-carbonitrile

Systemtic Name: 3-(2-oxidanylidene-5-pyridin-2-yl-1-pyridin-3-yl-pyridin-3-yl)pyridine-2-carbonitrile Openeye Name: 3-[2-oxo-5-(2-pyridyl)-1-(3-pyridyl)-3-pyridyl]pyridine-2-carbonitrile CAS Name: 3-[2-oxo-5-(2-pyridinyl)-1-(3-pyridinyl)-3-pyridinyl]-2-pyridinecarbonitrile IUPAC Name: 3-(2-oxo-5-pyridin-2-yl-1-pyridin-3-ylpyridin-3-yl)pyridine-2-carbonitrile Traditional Name: 3-[2-keto-5-(2-pyridyl)-1-(3-pyridyl)-3-pyridyl]picolinonitrile Formula: C21H13N5O MolecularWeight: 351.36082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H13N5O/c22-12-20-17(6-4-10-25-20)18-11-15(19-7-1-2-9-24-19)14-26(21(18)27)16-5-3-8-23-13-16/h1-11,13-14H