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

Systemtic Name: 4-[4-[2-[4-(4-butylcyclohexyl)cyclohexen-1-yl]ethynyl]phenyl]-2-fluoranyl-benzenecarbonitrile Openeye Name: 4-[4-[2-[4-(4-butylcyclohexyl)cyclohexen-1-yl]ethynyl]phenyl]-2-fluoro-benzonitrile CAS Name: 4-[4-[2-[4-(4-butylcyclohexyl)-1-cyclohexenyl]ethynyl]phenyl]-2-fluorobenzonitrile IUPAC Name: 4-[4-[2-[4-(4-butylcyclohexyl)cyclohexen-1-yl]ethynyl]phenyl]-2-fluorobenzonitrile Traditional Name: 4-[4-[2-[4-(4-butylcyclohexyl)cyclohexen-1-yl]ethynyl]phenyl]-2-fluoro-benzonitrile Formula: C31H34FN MolecularWeight: 439.606763

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C2CCC(=CC2)C#CC3=CC=C(C=C3)C4=CC(=C(C=C4)C#N)F

Isomeric SMILES

CCCCC1CCC(CC1)C2CCC(=CC2)C#CC3=CC=C(C=C3)C4=CC(=C(C=C4)C#N)F

InChI

InChI=1S/C31H34FN/c1-2-3-4-23-7-13-26(14-8-23)27-15-9-24(10-16-27)5-6-25-11-17-28(18-12-25)29-19-20-30(22-33)31(32)21-29/h9,11-12,17-21,23,26-27H,2-4,7-8,10,13-16H2,1H3