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

Systemtic Name: 3-propyl-6-(1-propyl-4-bicyclo[2.2.2]octanyl)benzene-1,2-dicarbonitrile Openeye Name: 3-propyl-6-(1-propyl-4-bicyclo[2.2.2]octanyl)phthalonitrile CAS Name: 3-propyl-6-(1-propyl-4-bicyclo[2.2.2]octanyl)benzene-1,2-dicarbonitrile IUPAC Name: 3-propyl-6-(1-propyl-4-bicyclo[2.2.2]octanyl)benzene-1,2-dicarbonitrile Traditional Name: 3-propyl-6-(1-propyl-4-bicyclo[2.2.2]octanyl)phthalonitrile Formula: C22H28N2 MolecularWeight: 320.47112

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=C(C=C1)C23CCC(CC2)(CC3)CCC)C#N)C#N

Isomeric SMILES

CCCC1=C(C(=C(C=C1)C23CCC(CC2)(CC3)CCC)C#N)C#N

InChI

InChI=1S/C22H28N2/c1-3-5-17-6-7-20(19(16-24)18(17)15-23)22-12-9-21(8-4-2,10-13-22)11-14-22/h6-7H,3-5,8-14H2,1-2H3