3-[[1-oxidanylidene-7-(3-phenylprop-1-ynyl)-2,6-naphthyridin-2-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[1-oxidanylidene-7-(3-phenylprop-1-ynyl)-2,6-naphthyridin-2-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[1-oxo-7-(3-phenylprop-1-ynyl)-2,6-naphthyridin-2-yl]methyl]benzonitrile CAS Name: 3-[[1-oxo-7-(3-phenylprop-1-ynyl)-2,6-naphthyridin-2-yl]methyl]benzonitrile IUPAC Name: 3-[[1-oxo-7-(3-phenylprop-1-ynyl)-2,6-naphthyridin-2-yl]methyl]benzonitrile Traditional Name: 3-[[1-keto-7-(3-phenylprop-1-ynyl)-2,6-naphthyridin-2-yl]methyl]benzonitrile Formula: C25H17N3O MolecularWeight: 375.42198

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC#CC2=CC3=C(C=CN(C3=O)CC4=CC=CC(=C4)C#N)C=N2

Isomeric SMILES

C1=CC=C(C=C1)CC#CC2=CC3=C(C=CN(C3=O)CC4=CC=CC(=C4)C#N)C=N2

InChI

InChI=1S/C25H17N3O/c26-16-20-9-4-10-21(14-20)18-28-13-12-22-17-27-23(15-24(22)25(28)29)11-5-8-19-6-2-1-3-7-19/h1-4,6-7,9-10,12-15,17H,8,18H2