3-fluoranyl-4-[4-[2-(4-pentylcyclohexen-1-yl)ethynyl]phenyl]benzenecarbonitrile

Systemtic Name: 3-fluoranyl-4-[4-[2-(4-pentylcyclohexen-1-yl)ethynyl]phenyl]benzenecarbonitrile Openeye Name: 3-fluoro-4-[4-[2-(4-pentylcyclohexen-1-yl)ethynyl]phenyl]benzonitrile CAS Name: 3-fluoro-4-[4-[2-(4-pentyl-1-cyclohexenyl)ethynyl]phenyl]benzonitrile IUPAC Name: 3-fluoro-4-[4-[2-(4-pentylcyclohexen-1-yl)ethynyl]phenyl]benzonitrile Traditional Name: 4-[4-[2-(4-amylcyclohexen-1-yl)ethynyl]phenyl]-3-fluoro-benzonitrile Formula: C26H26FN MolecularWeight: 371.489743

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(=CC1)C#CC2=CC=C(C=C2)C3=C(C=C(C=C3)C#N)F

Isomeric SMILES

CCCCCC1CCC(=CC1)C#CC2=CC=C(C=C2)C3=C(C=C(C=C3)C#N)F

InChI

InChI=1S/C26H26FN/c1-2-3-4-5-20-6-8-21(9-7-20)10-11-22-12-15-24(16-13-22)25-17-14-23(19-28)18-26(25)27/h8,12-18,20H,2-7,9H2,1H3