4-[[4-(1-oxidanyl-3-phenyl-prop-2-ynyl)pyridin-3-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(1-oxidanyl-3-phenyl-prop-2-ynyl)pyridin-3-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(1-hydroxy-3-phenyl-prop-2-ynyl)-3-pyridyl]methyl]benzonitrile CAS Name: 4-[[4-(1-hydroxy-3-phenylprop-2-ynyl)-3-pyridinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(1-hydroxy-3-phenylprop-2-ynyl)pyridin-3-yl]methyl]benzonitrile Traditional Name: 4-[[4-(1-hydroxy-3-phenyl-prop-2-ynyl)-3-pyridyl]methyl]benzonitrile Formula: C22H16N2O MolecularWeight: 324.37524

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC(C2=C(C=NC=C2)CC3=CC=C(C=C3)C#N)O

Isomeric SMILES

C1=CC=C(C=C1)C#CC(C2=C(C=NC=C2)CC3=CC=C(C=C3)C#N)O

InChI

InChI=1S/C22H16N2O/c23-15-19-8-6-18(7-9-19)14-20-16-24-13-12-21(20)22(25)11-10-17-4-2-1-3-5-17/h1-9,12-13,16,22,25H,14H2