2-fluoranyl-4-[4-[2-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]ethynyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-fluoranyl-4-[4-[2-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]ethynyl]phenyl]benzenecarbonitrile Openeye Name: 2-fluoro-4-[4-[2-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]ethynyl]phenyl]benzonitrile CAS Name: 2-fluoro-4-[4-[2-[4-(4-pentylcyclohexyl)-1-cyclohexenyl]ethynyl]phenyl]benzonitrile IUPAC Name: 2-fluoro-4-[4-[2-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]ethynyl]phenyl]benzonitrile Traditional Name: 4-[4-[2-[4-(4-amylcyclohexyl)cyclohexen-1-yl]ethynyl]phenyl]-2-fluoro-benzonitrile Formula: C32H36FN MolecularWeight: 453.633343

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C2CCC(=CC2)C#CC3=CC=C(C=C3)C4=CC(=C(C=C4)C#N)F

Isomeric SMILES

CCCCCC1CCC(CC1)C2CCC(=CC2)C#CC3=CC=C(C=C3)C4=CC(=C(C=C4)C#N)F

InChI

InChI=1S/C32H36FN/c1-2-3-4-5-24-8-14-27(15-9-24)28-16-10-25(11-17-28)6-7-26-12-18-29(19-13-26)30-20-21-31(23-34)32(33)22-30/h10,12-13,18-22,24,27-28H,2-5,8-9,11,14-17H2,1H3