4-[4-[4-[(E)-4-cyano-4-fluoranyl-but-3-enyl]cyclohexyl]butyl]benzenecarbonitrile

Systemtic Name: 4-[4-[4-[(E)-4-cyano-4-fluoranyl-but-3-enyl]cyclohexyl]butyl]benzenecarbonitrile Openeye Name: 4-[4-[4-[(E)-4-cyano-4-fluoro-but-3-enyl]cyclohexyl]butyl]benzonitrile CAS Name: 4-[4-[4-[(E)-4-cyano-4-fluorobut-3-enyl]cyclohexyl]butyl]benzonitrile IUPAC Name: 4-[4-[4-[(E)-4-cyano-4-fluorobut-3-enyl]cyclohexyl]butyl]benzonitrile Traditional Name: 4-[4-[4-[(E)-4-cyano-4-fluoro-but-3-enyl]cyclohexyl]butyl]benzonitrile Formula: C22H27FN2 MolecularWeight: 338.461583

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CCCCC2=CC=C(C=C2)C#N)CCC=C(C#N)F

Isomeric SMILES

C1CC(CCC1CCCCC2=CC=C(C=C2)C#N)CC/C=C(\C#N)/F

InChI

InChI=1S/C22H27FN2/c23-22(17-25)7-3-6-20-10-8-18(9-11-20)4-1-2-5-19-12-14-21(16-24)15-13-19/h7,12-15,18,20H,1-6,8-11H2/b22-7+