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

Systemtic Name: 3-pentyl-6-(1-pentyl-4-bicyclo[2.2.2]octanyl)benzene-1,2-dicarbonitrile Openeye Name: 3-pentyl-6-(1-pentyl-4-bicyclo[2.2.2]octanyl)phthalonitrile CAS Name: 3-pentyl-6-(1-pentyl-4-bicyclo[2.2.2]octanyl)benzene-1,2-dicarbonitrile IUPAC Name: 3-pentyl-6-(1-pentyl-4-bicyclo[2.2.2]octanyl)benzene-1,2-dicarbonitrile Traditional Name: 3-amyl-6-(1-amyl-4-bicyclo[2.2.2]octanyl)phthalonitrile Formula: C26H36N2 MolecularWeight: 376.57744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C(=C(C=C1)C23CCC(CC2)(CC3)CCCCC)C#N)C#N

Isomeric SMILES

CCCCCC1=C(C(=C(C=C1)C23CCC(CC2)(CC3)CCCCC)C#N)C#N

InChI

InChI=1S/C26H36N2/c1-3-5-7-9-21-10-11-24(23(20-28)22(21)19-27)26-16-13-25(14-17-26,15-18-26)12-8-6-4-2/h10-11H,3-9,12-18H2,1-2H3