4-[2-(1-butyl-4-bicyclo[2.2.2]octanyl)ethyl]-2-fluoranyl-benzenecarbonitrile

Systemtic Name: 4-[2-(1-butyl-4-bicyclo[2.2.2]octanyl)ethyl]-2-fluoranyl-benzenecarbonitrile Openeye Name: 4-[2-(1-butyl-4-bicyclo[2.2.2]octanyl)ethyl]-2-fluoro-benzonitrile CAS Name: 4-[2-(1-butyl-4-bicyclo[2.2.2]octanyl)ethyl]-2-fluorobenzonitrile IUPAC Name: 4-[2-(1-butyl-4-bicyclo[2.2.2]octanyl)ethyl]-2-fluorobenzonitrile Traditional Name: 4-[2-(1-butyl-4-bicyclo[2.2.2]octanyl)ethyl]-2-fluoro-benzonitrile Formula: C21H28FN MolecularWeight: 313.452123

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC12CCC(CC1)(CC2)CCC3=CC(=C(C=C3)C#N)F

Isomeric SMILES

CCCCC12CCC(CC1)(CC2)CCC3=CC(=C(C=C3)C#N)F

InChI

InChI=1S/C21H28FN/c1-2-3-7-20-9-12-21(13-10-20,14-11-20)8-6-17-4-5-18(16-23)19(22)15-17/h4-5,15H,2-3,6-14H2,1H3