5-(3-oxidanylidene-3-pyridin-2-yl-prop-1-enyl)-1-(phenylmethyl)-4H-pyridine-3-carbonitrile

Systemtic Name: 5-(3-oxidanylidene-3-pyridin-2-yl-prop-1-enyl)-1-(phenylmethyl)-4H-pyridine-3-carbonitrile Openeye Name: 1-benzyl-5-[3-oxo-3-(2-pyridyl)prop-1-enyl]-4H-pyridine-3-carbonitrile CAS Name: 5-[3-oxo-3-(2-pyridinyl)prop-1-enyl]-1-(phenylmethyl)-4H-pyridine-3-carbonitrile IUPAC Name: 1-benzyl-5-(3-oxo-3-pyridin-2-ylprop-1-enyl)-4H-pyridine-3-carbonitrile Traditional Name: 1-benzyl-5-[3-keto-3-(2-pyridyl)prop-1-enyl]-4H-pyridine-3-carbonitrile Formula: C21H17N3O MolecularWeight: 327.37918

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=CN(C=C1C#N)CC2=CC=CC=C2)C=CC(=O)C3=CC=CC=N3

Isomeric SMILES

C1C(=CN(C=C1C#N)CC2=CC=CC=C2)C=CC(=O)C3=CC=CC=N3

InChI

InChI=1S/C21H17N3O/c22-13-19-12-18(9-10-21(25)20-8-4-5-11-23-20)15-24(16-19)14-17-6-2-1-3-7-17/h1-11,15-16H,12,14H2