4-[4-[(3E,5E)-6-cyano-6-fluoranyl-hexa-3,5-dienyl]cyclohexyl]benzenecarbonitrile

Systemtic Name: 4-[4-[(3E,5E)-6-cyano-6-fluoranyl-hexa-3,5-dienyl]cyclohexyl]benzenecarbonitrile Openeye Name: 4-[4-[(3E,5E)-6-cyano-6-fluoro-hexa-3,5-dienyl]cyclohexyl]benzonitrile CAS Name: 4-[4-[(3E,5E)-6-cyano-6-fluorohexa-3,5-dienyl]cyclohexyl]benzonitrile IUPAC Name: 4-[4-[(3E,5E)-6-cyano-6-fluorohexa-3,5-dienyl]cyclohexyl]benzonitrile Traditional Name: 4-[4-[(3E,5E)-6-cyano-6-fluoro-hexa-3,5-dienyl]cyclohexyl]benzonitrile Formula: C20H21FN2 MolecularWeight: 308.392543

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CCC=CC=C(C#N)F)C2=CC=C(C=C2)C#N

Isomeric SMILES

C1CC(CCC1CC/C=C/C=C(\C#N)/F)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C20H21FN2/c21-20(15-23)5-3-1-2-4-16-6-10-18(11-7-16)19-12-8-17(14-22)9-13-19/h1,3,5,8-9,12-13,16,18H,2,4,6-7,10-11H2/b3-1+,20-5+