4-[4-(1-cyclohexyl-2-pentan-2-yl-cyclohexyl)butyl]-2-fluoranyl-benzenecarbonitrile

Systemtic Name: 4-[4-(1-cyclohexyl-2-pentan-2-yl-cyclohexyl)butyl]-2-fluoranyl-benzenecarbonitrile Openeye Name: 4-[4-[1-cyclohexyl-2-(1-methylbutyl)cyclohexyl]butyl]-2-fluoro-benzonitrile CAS Name: 4-[4-(1-cyclohexyl-2-pentan-2-ylcyclohexyl)butyl]-2-fluorobenzonitrile IUPAC Name: 4-[4-(1-cyclohexyl-2-pentan-2-ylcyclohexyl)butyl]-2-fluorobenzonitrile Traditional Name: 4-[4-[1-cyclohexyl-2-(1-methylbutyl)cyclohexyl]butyl]-2-fluoro-benzonitrile Formula: C28H42FN MolecularWeight: 411.638183

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C1CCCCC1(CCCCC2=CC(=C(C=C2)C#N)F)C3CCCCC3

Isomeric SMILES

CCCC(C)C1CCCCC1(CCCCC2=CC(=C(C=C2)C#N)F)C3CCCCC3

InChI

InChI=1S/C28H42FN/c1-3-11-22(2)26-15-8-10-19-28(26,25-13-5-4-6-14-25)18-9-7-12-23-16-17-24(21-30)27(29)20-23/h16-17,20,22,25-26H,3-15,18-19H2,1-2H3