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

Systemtic Name: 3-pentyl-6-[4-(1-propyl-4-bicyclo[2.2.2]octanyl)phenyl]benzene-1,2-dicarbonitrile Openeye Name: 3-pentyl-6-[4-(1-propyl-4-bicyclo[2.2.2]octanyl)phenyl]phthalonitrile CAS Name: 3-pentyl-6-[4-(1-propyl-4-bicyclo[2.2.2]octanyl)phenyl]benzene-1,2-dicarbonitrile IUPAC Name: 3-pentyl-6-[4-(1-propyl-4-bicyclo[2.2.2]octanyl)phenyl]benzene-1,2-dicarbonitrile Traditional Name: 3-amyl-6-[4-(1-propyl-4-bicyclo[2.2.2]octanyl)phenyl]phthalonitrile Formula: C30H36N2 MolecularWeight: 424.62024

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)CCC)C#N)C#N

Isomeric SMILES

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

InChI

InChI=1S/C30H36N2/c1-3-5-6-7-23-10-13-26(28(22-32)27(23)21-31)24-8-11-25(12-9-24)30-18-15-29(14-4-2,16-19-30)17-20-30/h8-13H,3-7,14-20H2,1-2H3