3-[2-oxidanylidene-3-(pyridin-4-ylmethyl)-1,8-naphthyridin-1-yl]benzenecarbonitrile

Systemtic Name: 3-[2-oxidanylidene-3-(pyridin-4-ylmethyl)-1,8-naphthyridin-1-yl]benzenecarbonitrile Openeye Name: 3-[2-oxo-3-(4-pyridylmethyl)-1,8-naphthyridin-1-yl]benzonitrile CAS Name: 3-[2-oxo-3-(pyridin-4-ylmethyl)-1,8-naphthyridin-1-yl]benzonitrile IUPAC Name: 3-[2-oxo-3-(pyridin-4-ylmethyl)-1,8-naphthyridin-1-yl]benzonitrile Traditional Name: 3-[2-keto-3-(4-pyridylmethyl)-1,8-naphthyridin-1-yl]benzonitrile Formula: C21H14N4O MolecularWeight: 338.36206

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C3=C(C=CC=N3)C=C(C2=O)CC4=CC=NC=C4)C#N

Isomeric SMILES

C1=CC(=CC(=C1)N2C3=C(C=CC=N3)C=C(C2=O)CC4=CC=NC=C4)C#N

InChI

InChI=1S/C21H14N4O/c22-14-16-3-1-5-19(12-16)25-20-17(4-2-8-24-20)13-18(21(25)26)11-15-6-9-23-10-7-15/h1-10,12-13H,11H2