4-[4-(5-hexylpyridin-2-yl)phenyl]-1-(2-methylbutyl)cyclohexane-1-carbonitrile

Systemtic Name: 4-[4-(5-hexylpyridin-2-yl)phenyl]-1-(2-methylbutyl)cyclohexane-1-carbonitrile Openeye Name: 4-[4-(5-hexyl-2-pyridyl)phenyl]-1-(2-methylbutyl)cyclohexanecarbonitrile CAS Name: 4-[4-(5-hexyl-2-pyridinyl)phenyl]-1-(2-methylbutyl)-1-cyclohexanecarbonitrile IUPAC Name: 4-[4-(5-hexylpyridin-2-yl)phenyl]-1-(2-methylbutyl)cyclohexane-1-carbonitrile Traditional Name: 4-[4-(5-hexyl-2-pyridyl)phenyl]-1-(2-methylbutyl)cyclohexanecarbonitrile Formula: C29H40N2 MolecularWeight: 416.6413

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)C3CCC(CC3)(CC(C)CC)C#N

Isomeric SMILES

CCCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)C3CCC(CC3)(CC(C)CC)C#N

InChI

InChI=1S/C29H40N2/c1-4-6-7-8-9-24-10-15-28(31-21-24)27-13-11-25(12-14-27)26-16-18-29(22-30,19-17-26)20-23(3)5-2/h10-15,21,23,26H,4-9,16-20H2,1-3H3