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

Systemtic Name: 1-(2-methylbutyl)-4-[4-(5-nonylpyridin-2-yl)phenyl]cyclohexane-1-carbonitrile Openeye Name: 1-(2-methylbutyl)-4-[4-(5-nonyl-2-pyridyl)phenyl]cyclohexanecarbonitrile CAS Name: 1-(2-methylbutyl)-4-[4-(5-nonyl-2-pyridinyl)phenyl]-1-cyclohexanecarbonitrile IUPAC Name: 1-(2-methylbutyl)-4-[4-(5-nonylpyridin-2-yl)phenyl]cyclohexane-1-carbonitrile Traditional Name: 1-(2-methylbutyl)-4-[4-(5-nonyl-2-pyridyl)phenyl]cyclohexanecarbonitrile Formula: C32H46N2 MolecularWeight: 458.72104

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)C3CCC(CC3)(CC(C)CC)C#N

Isomeric SMILES

CCCCCCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)C3CCC(CC3)(CC(C)CC)C#N

InChI

InChI=1S/C32H46N2/c1-4-6-7-8-9-10-11-12-27-13-18-31(34-24-27)30-16-14-28(15-17-30)29-19-21-32(25-33,22-20-29)23-26(3)5-2/h13-18,24,26,29H,4-12,19-23H2,1-3H3