2-[2-oxidanylidene-1-[1-(phenylmethyl)-3,6-dihydro-2H-pyridin-5-yl]-5-pyridin-2-yl-pyridin-3-yl]benzenecarbonitrile

Systemtic Name: 2-[2-oxidanylidene-1-[1-(phenylmethyl)-3,6-dihydro-2H-pyridin-5-yl]-5-pyridin-2-yl-pyridin-3-yl]benzenecarbonitrile Openeye Name: 2-[1-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)-2-oxo-5-(2-pyridyl)-3-pyridyl]benzonitrile CAS Name: 2-[2-oxo-1-[1-(phenylmethyl)-3,6-dihydro-2H-pyridin-5-yl]-5-(2-pyridinyl)-3-pyridinyl]benzonitrile IUPAC Name: 2-[1-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)-2-oxo-5-pyridin-2-ylpyridin-3-yl]benzonitrile Traditional Name: 2-[1-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)-2-keto-5-(2-pyridyl)-3-pyridyl]benzonitrile Formula: C29H24N4O MolecularWeight: 444.52706

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=C1)N2C=C(C=C(C2=O)C3=CC=CC=C3C#N)C4=CC=CC=N4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CC(=C1)N2C=C(C=C(C2=O)C3=CC=CC=C3C#N)C4=CC=CC=N4)CC5=CC=CC=C5

InChI

InChI=1S/C29H24N4O/c30-18-23-11-4-5-13-26(23)27-17-24(28-14-6-7-15-31-28)20-33(29(27)34)25-12-8-16-32(21-25)19-22-9-2-1-3-10-22/h1-7,9-15,17,20H,8,16,19,21H2