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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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