2-(2-methyl-5-oxidanylidene-5-phenyl-pentan-2-yl)pyridine-4-carbonitrile

Systemtic Name: 2-(2-methyl-5-oxidanylidene-5-phenyl-pentan-2-yl)pyridine-4-carbonitrile Openeye Name: 2-(1,1-dimethyl-4-oxo-4-phenyl-butyl)pyridine-4-carbonitrile CAS Name: 2-(2-methyl-5-oxo-5-phenylpentan-2-yl)-4-pyridinecarbonitrile IUPAC Name: 2-(2-methyl-5-oxo-5-phenylpentan-2-yl)pyridine-4-carbonitrile Traditional Name: 2-(4-keto-1,1-dimethyl-4-phenyl-butyl)isonicotinonitrile Formula: C18H18N2O MolecularWeight: 278.34832

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCC(=O)C1=CC=CC=C1)C2=NC=CC(=C2)C#N

Isomeric SMILES

CC(C)(CCC(=O)C1=CC=CC=C1)C2=NC=CC(=C2)C#N

InChI

InChI=1S/C18H18N2O/c1-18(2,17-12-14(13-19)9-11-20-17)10-8-16(21)15-6-4-3-5-7-15/h3-7,9,11-12H,8,10H2,1-2H3