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

Systemtic Name: 1-(2-fluoranylhexyl)-4-[4-(5-octylpyridin-2-yl)phenyl]cyclohexane-1-carbonitrile Openeye Name: 1-(2-fluorohexyl)-4-[4-(5-octyl-2-pyridyl)phenyl]cyclohexanecarbonitrile CAS Name: 1-(2-fluorohexyl)-4-[4-(5-octyl-2-pyridinyl)phenyl]-1-cyclohexanecarbonitrile IUPAC Name: 1-(2-fluorohexyl)-4-[4-(5-octylpyridin-2-yl)phenyl]cyclohexane-1-carbonitrile Traditional Name: 1-(2-fluorohexyl)-4-[4-(5-octyl-2-pyridyl)phenyl]cyclohexanecarbonitrile Formula: C32H45FN2 MolecularWeight: 476.711503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H45FN2/c1-3-5-7-8-9-10-11-26-13-18-31(35-24-26)29-16-14-27(15-17-29)28-19-21-32(25-34,22-20-28)23-30(33)12-6-4-2/h13-18,24,28,30H,3-12,19-23H2,1-2H3