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

Systemtic Name: 1-(2-methylbutyl)-4-[4-(5-octylpyridin-2-yl)phenyl]cyclohexane-1-carbonitrile Openeye Name: 1-(2-methylbutyl)-4-[4-(5-octyl-2-pyridyl)phenyl]cyclohexanecarbonitrile CAS Name: 1-(2-methylbutyl)-4-[4-(5-octyl-2-pyridinyl)phenyl]-1-cyclohexanecarbonitrile IUPAC Name: 1-(2-methylbutyl)-4-[4-(5-octylpyridin-2-yl)phenyl]cyclohexane-1-carbonitrile Traditional Name: 1-(2-methylbutyl)-4-[4-(5-octyl-2-pyridyl)phenyl]cyclohexanecarbonitrile Formula: C31H44N2 MolecularWeight: 444.69446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H44N2/c1-4-6-7-8-9-10-11-26-12-17-30(33-23-26)29-15-13-27(14-16-29)28-18-20-31(24-32,21-19-28)22-25(3)5-2/h12-17,23,25,28H,4-11,18-22H2,1-3H3