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

Systemtic Name: 3-(1-pentyl-4-bicyclo[2.2.2]octanyl)-6-(4-pentylphenyl)benzene-1,2-dicarbonitrile Openeye Name: 3-(1-pentyl-4-bicyclo[2.2.2]octanyl)-6-(4-pentylphenyl)phthalonitrile CAS Name: 3-(1-pentyl-4-bicyclo[2.2.2]octanyl)-6-(4-pentylphenyl)benzene-1,2-dicarbonitrile IUPAC Name: 3-(1-pentyl-4-bicyclo[2.2.2]octanyl)-6-(4-pentylphenyl)benzene-1,2-dicarbonitrile Traditional Name: 3-(1-amyl-4-bicyclo[2.2.2]octanyl)-6-(4-amylphenyl)phthalonitrile Formula: C32H40N2 MolecularWeight: 452.6734

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2=C(C(=C(C=C2)C34CCC(CC3)(CC4)CCCCC)C#N)C#N

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2=C(C(=C(C=C2)C34CCC(CC3)(CC4)CCCCC)C#N)C#N

InChI

InChI=1S/C32H40N2/c1-3-5-7-9-25-10-12-26(13-11-25)27-14-15-30(29(24-34)28(27)23-33)32-20-17-31(18-21-32,19-22-32)16-8-6-4-2/h10-15H,3-9,16-22H2,1-2H3