1-(3-methylpentyl)-4-[4-(5-octylpyridin-2-yl)phenyl]cyclohexane-1-carbonitrile

Systemtic Name: 1-(3-methylpentyl)-4-[4-(5-octylpyridin-2-yl)phenyl]cyclohexane-1-carbonitrile Openeye Name: 1-(3-methylpentyl)-4-[4-(5-octyl-2-pyridyl)phenyl]cyclohexanecarbonitrile CAS Name: 1-(3-methylpentyl)-4-[4-(5-octyl-2-pyridinyl)phenyl]-1-cyclohexanecarbonitrile IUPAC Name: 1-(3-methylpentyl)-4-[4-(5-octylpyridin-2-yl)phenyl]cyclohexane-1-carbonitrile Traditional Name: 1-(3-methylpentyl)-4-[4-(5-octyl-2-pyridyl)phenyl]cyclohexanecarbonitrile Formula: C32H46N2 MolecularWeight: 458.72104

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)C3CCC(CC3)(CCC(C)CC)C#N

Isomeric SMILES

CCCCCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)C3CCC(CC3)(CCC(C)CC)C#N

InChI

InChI=1S/C32H46N2/c1-4-6-7-8-9-10-11-27-12-17-31(34-24-27)30-15-13-28(14-16-30)29-19-22-32(25-33,23-20-29)21-18-26(3)5-2/h12-17,24,26,29H,4-11,18-23H2,1-3H3