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

Systemtic Name: 4-(1-decyl-4-bicyclo[2.2.2]octanyl)-2-fluoranyl-benzenecarbonitrile Openeye Name: 4-(1-decyl-4-bicyclo[2.2.2]octanyl)-2-fluoro-benzonitrile CAS Name: 4-(1-decyl-4-bicyclo[2.2.2]octanyl)-2-fluorobenzonitrile IUPAC Name: 4-(1-decyl-4-bicyclo[2.2.2]octanyl)-2-fluorobenzonitrile Traditional Name: 4-(1-decyl-4-bicyclo[2.2.2]octanyl)-2-fluoro-benzonitrile Formula: C25H36FN MolecularWeight: 369.558443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H36FN/c1-2-3-4-5-6-7-8-9-12-24-13-16-25(17-14-24,18-15-24)22-11-10-21(20-27)23(26)19-22/h10-11,19H,2-9,12-18H2,1H3