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

Systemtic Name: 4-[4-[2-(4-butylcyclohexen-1-yl)ethynyl]phenyl]-3-fluoranyl-benzenecarbonitrile Openeye Name: 4-[4-[2-(4-butylcyclohexen-1-yl)ethynyl]phenyl]-3-fluoro-benzonitrile CAS Name: 4-[4-[2-(4-butyl-1-cyclohexenyl)ethynyl]phenyl]-3-fluorobenzonitrile IUPAC Name: 4-[4-[2-(4-butylcyclohexen-1-yl)ethynyl]phenyl]-3-fluorobenzonitrile Traditional Name: 4-[4-[2-(4-butylcyclohexen-1-yl)ethynyl]phenyl]-3-fluoro-benzonitrile Formula: C25H24FN MolecularWeight: 357.463163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(=CC1)C#CC2=CC=C(C=C2)C3=C(C=C(C=C3)C#N)F

Isomeric SMILES

CCCCC1CCC(=CC1)C#CC2=CC=C(C=C2)C3=C(C=C(C=C3)C#N)F

InChI

InChI=1S/C25H24FN/c1-2-3-4-19-5-7-20(8-6-19)9-10-21-11-14-23(15-12-21)24-16-13-22(18-27)17-25(24)26/h7,11-17,19H,2-6,8H2,1H3