2-fluoranyl-4-[2-(1-heptyl-4-bicyclo[2.2.2]octanyl)phenyl]benzenecarbonitrile

Systemtic Name: 2-fluoranyl-4-[2-(1-heptyl-4-bicyclo[2.2.2]octanyl)phenyl]benzenecarbonitrile Openeye Name: 2-fluoro-4-[2-(1-heptyl-4-bicyclo[2.2.2]octanyl)phenyl]benzonitrile CAS Name: 2-fluoro-4-[2-(1-heptyl-4-bicyclo[2.2.2]octanyl)phenyl]benzonitrile IUPAC Name: 2-fluoro-4-[2-(1-heptyl-4-bicyclo[2.2.2]octanyl)phenyl]benzonitrile Traditional Name: 2-fluoro-4-[2-(1-heptyl-4-bicyclo[2.2.2]octanyl)phenyl]benzonitrile Formula: C28H34FN MolecularWeight: 403.574663

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC12CCC(CC1)(CC2)C3=CC=CC=C3C4=CC(=C(C=C4)C#N)F

Isomeric SMILES

CCCCCCCC12CCC(CC1)(CC2)C3=CC=CC=C3C4=CC(=C(C=C4)C#N)F

InChI

InChI=1S/C28H34FN/c1-2-3-4-5-8-13-27-14-17-28(18-15-27,19-16-27)25-10-7-6-9-24(25)22-11-12-23(21-30)26(29)20-22/h6-7,9-12,20H,2-5,8,13-19H2,1H3