3-[2-(1-pentyl-4-bicyclo[2.2.2]octanyl)ethyl]-6-(4-pentylphenyl)benzene-1,2-dicarbonitrile

Systemtic Name: 3-[2-(1-pentyl-4-bicyclo[2.2.2]octanyl)ethyl]-6-(4-pentylphenyl)benzene-1,2-dicarbonitrile Openeye Name: 3-[2-(1-pentyl-4-bicyclo[2.2.2]octanyl)ethyl]-6-(4-pentylphenyl)phthalonitrile CAS Name: 3-[2-(1-pentyl-4-bicyclo[2.2.2]octanyl)ethyl]-6-(4-pentylphenyl)benzene-1,2-dicarbonitrile IUPAC Name: 3-[2-(1-pentyl-4-bicyclo[2.2.2]octanyl)ethyl]-6-(4-pentylphenyl)benzene-1,2-dicarbonitrile Traditional Name: 3-[2-(1-amyl-4-bicyclo[2.2.2]octanyl)ethyl]-6-(4-amylphenyl)phthalonitrile Formula: C34H44N2 MolecularWeight: 480.72656

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2=C(C(=C(C=C2)CCC34CCC(CC3)(CC4)CCCCC)C#N)C#N

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2=C(C(=C(C=C2)CCC34CCC(CC3)(CC4)CCCCC)C#N)C#N

InChI

InChI=1S/C34H44N2/c1-3-5-7-9-27-10-12-28(13-11-27)30-15-14-29(31(25-35)32(30)26-36)16-18-34-22-19-33(20-23-34,21-24-34)17-8-6-4-2/h10-15H,3-9,16-24H2,1-2H3