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

Systemtic Name: 4-[2-(1-decyl-4-bicyclo[2.2.2]octanyl)phenyl]-2-fluoranyl-benzenecarbonitrile Openeye Name: 4-[2-(1-decyl-4-bicyclo[2.2.2]octanyl)phenyl]-2-fluoro-benzonitrile CAS Name: 4-[2-(1-decyl-4-bicyclo[2.2.2]octanyl)phenyl]-2-fluorobenzonitrile IUPAC Name: 4-[2-(1-decyl-4-bicyclo[2.2.2]octanyl)phenyl]-2-fluorobenzonitrile Traditional Name: 4-[2-(1-decyl-4-bicyclo[2.2.2]octanyl)phenyl]-2-fluoro-benzonitrile Formula: C31H40FN MolecularWeight: 445.654403

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC12CCC(CC1)(CC2)C3=CC=CC=C3C4=CC(=C(C=C4)C#N)F

Isomeric SMILES

CCCCCCCCCCC12CCC(CC1)(CC2)C3=CC=CC=C3C4=CC(=C(C=C4)C#N)F

InChI

InChI=1S/C31H40FN/c1-2-3-4-5-6-7-8-11-16-30-17-20-31(21-18-30,22-19-30)28-13-10-9-12-27(28)25-14-15-26(24-33)29(32)23-25/h9-10,12-15,23H,2-8,11,16-22H2,1H3