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

Systemtic Name: 4-[4-[2-(4-butylcyclohexen-1-yl)ethynyl]phenyl]benzenecarbonitrile Openeye Name: 4-[4-[2-(4-butylcyclohexen-1-yl)ethynyl]phenyl]benzonitrile CAS Name: 4-[4-[2-(4-butyl-1-cyclohexenyl)ethynyl]phenyl]benzonitrile IUPAC Name: 4-[4-[2-(4-butylcyclohexen-1-yl)ethynyl]phenyl]benzonitrile Traditional Name: 4-[4-[2-(4-butylcyclohexen-1-yl)ethynyl]phenyl]benzonitrile Formula: C25H25N MolecularWeight: 339.4727

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25N/c1-2-3-4-20-5-7-21(8-6-20)9-10-22-11-15-24(16-12-22)25-17-13-23(19-26)14-18-25/h7,11-18,20H,2-6,8H2,1H3