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

Systemtic Name: 4-[4-[2-[4-(4-ethylcyclohexyl)cyclohexen-1-yl]ethynyl]phenyl]-2-fluoranyl-benzenecarbonitrile Openeye Name: 4-[4-[2-[4-(4-ethylcyclohexyl)cyclohexen-1-yl]ethynyl]phenyl]-2-fluoro-benzonitrile CAS Name: 4-[4-[2-[4-(4-ethylcyclohexyl)-1-cyclohexenyl]ethynyl]phenyl]-2-fluorobenzonitrile IUPAC Name: 4-[4-[2-[4-(4-ethylcyclohexyl)cyclohexen-1-yl]ethynyl]phenyl]-2-fluorobenzonitrile Traditional Name: 4-[4-[2-[4-(4-ethylcyclohexyl)cyclohexen-1-yl]ethynyl]phenyl]-2-fluoro-benzonitrile Formula: C29H30FN MolecularWeight: 411.553603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC(CC1)C2CCC(=CC2)C#CC3=CC=C(C=C3)C4=CC(=C(C=C4)C#N)F

Isomeric SMILES

CCC1CCC(CC1)C2CCC(=CC2)C#CC3=CC=C(C=C3)C4=CC(=C(C=C4)C#N)F

InChI

InChI=1S/C29H30FN/c1-2-21-5-11-24(12-6-21)25-13-7-22(8-14-25)3-4-23-9-15-26(16-10-23)27-17-18-28(20-31)29(30)19-27/h7,9-10,15-19,21,24-25H,2,5-6,8,11-14H2,1H3