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

Systemtic Name: 3-butyl-6-(1-pentyl-4-bicyclo[2.2.2]octanyl)benzene-1,2-dicarbonitrile Openeye Name: 3-butyl-6-(1-pentyl-4-bicyclo[2.2.2]octanyl)phthalonitrile CAS Name: 3-butyl-6-(1-pentyl-4-bicyclo[2.2.2]octanyl)benzene-1,2-dicarbonitrile IUPAC Name: 3-butyl-6-(1-pentyl-4-bicyclo[2.2.2]octanyl)benzene-1,2-dicarbonitrile Traditional Name: 3-(1-amyl-4-bicyclo[2.2.2]octanyl)-6-butyl-phthalonitrile Formula: C25H34N2 MolecularWeight: 362.55086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC12CCC(CC1)(CC2)C3=C(C(=C(C=C3)CCCC)C#N)C#N

Isomeric SMILES

CCCCCC12CCC(CC1)(CC2)C3=C(C(=C(C=C3)CCCC)C#N)C#N

InChI

InChI=1S/C25H34N2/c1-3-5-7-11-24-12-15-25(16-13-24,17-14-24)23-10-9-20(8-6-4-2)21(18-26)22(23)19-27/h9-10H,3-8,11-17H2,1-2H3