2-(1-oxidanyl-6-oxidanylidene-6-phenyl-hexan-2-yl)pyridine-4-carbonitrile

Systemtic Name: 2-(1-oxidanyl-6-oxidanylidene-6-phenyl-hexan-2-yl)pyridine-4-carbonitrile Openeye Name: 2-[1-(hydroxymethyl)-5-oxo-5-phenyl-pentyl]pyridine-4-carbonitrile CAS Name: 2-(1-hydroxy-6-oxo-6-phenylhexan-2-yl)-4-pyridinecarbonitrile IUPAC Name: 2-(1-hydroxy-6-oxo-6-phenylhexan-2-yl)pyridine-4-carbonitrile Traditional Name: 2-(5-keto-1-methylol-5-phenyl-pentyl)isonicotinonitrile Formula: C18H18N2O2 MolecularWeight: 294.34772

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CCCC(CO)C2=NC=CC(=C2)C#N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CCCC(CO)C2=NC=CC(=C2)C#N

InChI

InChI=1S/C18H18N2O2/c19-12-14-9-10-20-17(11-14)16(13-21)7-4-8-18(22)15-5-2-1-3-6-15/h1-3,5-6,9-11,16,21H,4,7-8,13H2