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

Systemtic Name: 3-(1-propyl-4-bicyclo[2.2.2]octanyl)-6-(4-propylcyclohexyl)benzene-1,2-dicarbonitrile Openeye Name: 3-(1-propyl-4-bicyclo[2.2.2]octanyl)-6-(4-propylcyclohexyl)phthalonitrile CAS Name: 3-(1-propyl-4-bicyclo[2.2.2]octanyl)-6-(4-propylcyclohexyl)benzene-1,2-dicarbonitrile IUPAC Name: 3-(1-propyl-4-bicyclo[2.2.2]octanyl)-6-(4-propylcyclohexyl)benzene-1,2-dicarbonitrile Traditional Name: 3-(1-propyl-4-bicyclo[2.2.2]octanyl)-6-(4-propylcyclohexyl)phthalonitrile Formula: C28H38N2 MolecularWeight: 402.61472

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCC(CC1)C2=C(C(=C(C=C2)C34CCC(CC3)(CC4)CCC)C#N)C#N

Isomeric SMILES

CCCC1CCC(CC1)C2=C(C(=C(C=C2)C34CCC(CC3)(CC4)CCC)C#N)C#N

InChI

InChI=1S/C28H38N2/c1-3-5-21-6-8-22(9-7-21)23-10-11-26(25(20-30)24(23)19-29)28-16-13-27(12-4-2,14-17-28)15-18-28/h10-11,21-22H,3-9,12-18H2,1-2H3