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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C(C(=C(C=C1)C23CCC(CC2)(CC3)CCC)C#N)C#N

Isomeric SMILES

CCCCCCCC1=C(C(=C(C=C1)C23CCC(CC2)(CC3)CCC)C#N)C#N

InChI

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