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

Systemtic Name: 1-(2-fluoranylhexyl)-4-[4-(5-hexylpyridin-2-yl)phenyl]cyclohexane-1-carbonitrile Openeye Name: 1-(2-fluorohexyl)-4-[4-(5-hexyl-2-pyridyl)phenyl]cyclohexanecarbonitrile CAS Name: 1-(2-fluorohexyl)-4-[4-(5-hexyl-2-pyridinyl)phenyl]-1-cyclohexanecarbonitrile IUPAC Name: 1-(2-fluorohexyl)-4-[4-(5-hexylpyridin-2-yl)phenyl]cyclohexane-1-carbonitrile Traditional Name: 1-(2-fluorohexyl)-4-[4-(5-hexyl-2-pyridyl)phenyl]cyclohexanecarbonitrile Formula: C30H41FN2 MolecularWeight: 448.658343

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H41FN2/c1-3-5-7-8-9-24-11-16-29(33-22-24)27-14-12-25(13-15-27)26-17-19-30(23-32,20-18-26)21-28(31)10-6-4-2/h11-16,22,26,28H,3-10,17-21H2,1-2H3