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

Systemtic Name: 4-[4-[2-(4-pentylcyclohexen-1-yl)ethynyl]phenyl]benzenecarbonitrile Openeye Name: 4-[4-[2-(4-pentylcyclohexen-1-yl)ethynyl]phenyl]benzonitrile CAS Name: 4-[4-[2-(4-pentyl-1-cyclohexenyl)ethynyl]phenyl]benzonitrile IUPAC Name: 4-[4-[2-(4-pentylcyclohexen-1-yl)ethynyl]phenyl]benzonitrile Traditional Name: 4-[4-[2-(4-amylcyclohexen-1-yl)ethynyl]phenyl]benzonitrile Formula: C26H27N MolecularWeight: 353.49928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(=CC1)C#CC2=CC=C(C=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCC1CCC(=CC1)C#CC2=CC=C(C=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C26H27N/c1-2-3-4-5-21-6-8-22(9-7-21)10-11-23-12-16-25(17-13-23)26-18-14-24(20-27)15-19-26/h8,12-19,21H,2-7,9H2,1H3