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

Systemtic Name: 4-[2-(1-butyl-4-bicyclo[2.2.2]octanyl)phenyl]-2-fluoranyl-benzenecarbonitrile Openeye Name: 4-[2-(1-butyl-4-bicyclo[2.2.2]octanyl)phenyl]-2-fluoro-benzonitrile CAS Name: 4-[2-(1-butyl-4-bicyclo[2.2.2]octanyl)phenyl]-2-fluorobenzonitrile IUPAC Name: 4-[2-(1-butyl-4-bicyclo[2.2.2]octanyl)phenyl]-2-fluorobenzonitrile Traditional Name: 4-[2-(1-butyl-4-bicyclo[2.2.2]octanyl)phenyl]-2-fluoro-benzonitrile Formula: C25H28FN MolecularWeight: 361.494923

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC12CCC(CC1)(CC2)C3=CC=CC=C3C4=CC(=C(C=C4)C#N)F

Isomeric SMILES

CCCCC12CCC(CC1)(CC2)C3=CC=CC=C3C4=CC(=C(C=C4)C#N)F

InChI

InChI=1S/C25H28FN/c1-2-3-10-24-11-14-25(15-12-24,16-13-24)22-7-5-4-6-21(22)19-8-9-20(18-27)23(26)17-19/h4-9,17H,2-3,10-16H2,1H3