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

Systemtic Name: 1-(2-fluoranylhexyl)-4-[4-(5-nonylpyridin-2-yl)phenyl]cyclohexane-1-carbonitrile Openeye Name: 1-(2-fluorohexyl)-4-[4-(5-nonyl-2-pyridyl)phenyl]cyclohexanecarbonitrile CAS Name: 1-(2-fluorohexyl)-4-[4-(5-nonyl-2-pyridinyl)phenyl]-1-cyclohexanecarbonitrile IUPAC Name: 1-(2-fluorohexyl)-4-[4-(5-nonylpyridin-2-yl)phenyl]cyclohexane-1-carbonitrile Traditional Name: 1-(2-fluorohexyl)-4-[4-(5-nonyl-2-pyridyl)phenyl]cyclohexanecarbonitrile Formula: C33H47FN2 MolecularWeight: 490.738083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H47FN2/c1-3-5-7-8-9-10-11-12-27-14-19-32(36-25-27)30-17-15-28(16-18-30)29-20-22-33(26-35,23-21-29)24-31(34)13-6-4-2/h14-19,25,29,31H,3-13,20-24H2,1-2H3