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

Systemtic Name: 3-pentyl-6-[2-(1-pentyl-4-bicyclo[2.2.2]octanyl)ethyl]benzene-1,2-dicarbonitrile Openeye Name: 3-pentyl-6-[2-(1-pentyl-4-bicyclo[2.2.2]octanyl)ethyl]phthalonitrile CAS Name: 3-pentyl-6-[2-(1-pentyl-4-bicyclo[2.2.2]octanyl)ethyl]benzene-1,2-dicarbonitrile IUPAC Name: 3-pentyl-6-[2-(1-pentyl-4-bicyclo[2.2.2]octanyl)ethyl]benzene-1,2-dicarbonitrile Traditional Name: 3-amyl-6-[2-(1-amyl-4-bicyclo[2.2.2]octanyl)ethyl]phthalonitrile Formula: C28H40N2 MolecularWeight: 404.6306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C(=C(C=C1)CCC23CCC(CC2)(CC3)CCCCC)C#N)C#N

Isomeric SMILES

CCCCCC1=C(C(=C(C=C1)CCC23CCC(CC2)(CC3)CCCCC)C#N)C#N

InChI

InChI=1S/C28H40N2/c1-3-5-7-9-23-10-11-24(26(22-30)25(23)21-29)12-14-28-18-15-27(16-19-28,17-20-28)13-8-6-4-2/h10-11H,3-9,12-20H2,1-2H3