3-[[3-oxidanylidene-7-(3-phenylprop-1-ynyl)isoquinolin-2-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[3-oxidanylidene-7-(3-phenylprop-1-ynyl)isoquinolin-2-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[3-oxo-7-(3-phenylprop-1-ynyl)-2-isoquinolyl]methyl]benzonitrile CAS Name: 3-[[3-oxo-7-(3-phenylprop-1-ynyl)-2-isoquinolinyl]methyl]benzonitrile IUPAC Name: 3-[[3-oxo-7-(3-phenylprop-1-ynyl)isoquinolin-2-yl]methyl]benzonitrile Traditional Name: 3-[[3-keto-7-(3-phenylprop-1-ynyl)-2-isoquinolyl]methyl]benzonitrile Formula: C26H18N2O MolecularWeight: 374.43392

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC#CC2=CC3=CN(C(=O)C=C3C=C2)CC4=CC=CC(=C4)C#N

Isomeric SMILES

C1=CC=C(C=C1)CC#CC2=CC3=CN(C(=O)C=C3C=C2)CC4=CC=CC(=C4)C#N

InChI

InChI=1S/C26H18N2O/c27-17-22-10-5-11-23(14-22)18-28-19-25-15-21(12-13-24(25)16-26(28)29)9-4-8-20-6-2-1-3-7-20/h1-3,5-7,10-16,19H,8,18H2