4-[4-(methoxymethyl)phenyl]-1-(3-methylbutyl)-2-oxidanylidene-pyridine-3-carbonitrile

Systemtic Name: 4-[4-(methoxymethyl)phenyl]-1-(3-methylbutyl)-2-oxidanylidene-pyridine-3-carbonitrile Openeye Name: 1-isopentyl-4-[4-(methoxymethyl)phenyl]-2-oxo-pyridine-3-carbonitrile CAS Name: 4-[4-(methoxymethyl)phenyl]-1-(3-methylbutyl)-2-oxo-3-pyridinecarbonitrile IUPAC Name: 4-[4-(methoxymethyl)phenyl]-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile Traditional Name: 1-isoamyl-2-keto-4-[4-(methoxymethyl)phenyl]nicotinonitrile Formula: C19H22N2O2 MolecularWeight: 310.39018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O2/c1-14(2)8-10-21-11-9-17(18(12-20)19(21)22)16-6-4-15(5-7-16)13-23-3/h4-7,9,11,14H,8,10,13H2,1-3H3