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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2CCC(=CC2)C#CC3=CC(=C(C=C3)C#N)F

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2CCC(=CC2)C#CC3=CC(=C(C=C3)C#N)F

InChI

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