1-(3-methylbutyl)-2-oxidanylidene-4-(2-phenylethynyl)pyridine-3-carbonitrile

Systemtic Name: 1-(3-methylbutyl)-2-oxidanylidene-4-(2-phenylethynyl)pyridine-3-carbonitrile Openeye Name: 1-isopentyl-2-oxo-4-(2-phenylethynyl)pyridine-3-carbonitrile CAS Name: 1-(3-methylbutyl)-2-oxo-4-(2-phenylethynyl)-3-pyridinecarbonitrile IUPAC Name: 1-(3-methylbutyl)-2-oxo-4-(2-phenylethynyl)pyridine-3-carbonitrile Traditional Name: 1-isoamyl-2-keto-4-(2-phenylethynyl)nicotinonitrile Formula: C19H18N2O MolecularWeight: 290.35902

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C=CC(=C(C1=O)C#N)C#CC2=CC=CC=C2

Isomeric SMILES

CC(C)CCN1C=CC(=C(C1=O)C#N)C#CC2=CC=CC=C2

InChI

InChI=1S/C19H18N2O/c1-15(2)10-12-21-13-11-17(18(14-20)19(21)22)9-8-16-6-4-3-5-7-16/h3-7,11,13,15H,10,12H2,1-2H3