4-[4-[2-(4-heptylcyclohexyl)ethynyl]phenyl]benzenecarbonitrile

Systemtic Name: 4-[4-[2-(4-heptylcyclohexyl)ethynyl]phenyl]benzenecarbonitrile Openeye Name: 4-[4-[2-(4-heptylcyclohexyl)ethynyl]phenyl]benzonitrile CAS Name: 4-[4-[2-(4-heptylcyclohexyl)ethynyl]phenyl]benzonitrile IUPAC Name: 4-[4-[2-(4-heptylcyclohexyl)ethynyl]phenyl]benzonitrile Traditional Name: 4-[4-[2-(4-heptylcyclohexyl)ethynyl]phenyl]benzonitrile Formula: C28H33N MolecularWeight: 383.56832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)C#CC2=CC=C(C=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCCCC1CCC(CC1)C#CC2=CC=C(C=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C28H33N/c1-2-3-4-5-6-7-23-8-10-24(11-9-23)12-13-25-14-18-27(19-15-25)28-20-16-26(22-29)17-21-28/h14-21,23-24H,2-11H2,1H3