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

Systemtic Name: 3-propyl-6-[(1-propyl-4-bicyclo[2.2.2]octanyl)methoxy]benzene-1,2-dicarbonitrile Openeye Name: 3-propyl-6-[(1-propyl-4-bicyclo[2.2.2]octanyl)methoxy]phthalonitrile CAS Name: 3-propyl-6-[(1-propyl-4-bicyclo[2.2.2]octanyl)methoxy]benzene-1,2-dicarbonitrile IUPAC Name: 3-propyl-6-[(1-propyl-4-bicyclo[2.2.2]octanyl)methoxy]benzene-1,2-dicarbonitrile Traditional Name: 3-propyl-6-[(1-propyl-4-bicyclo[2.2.2]octanyl)methoxy]phthalonitrile Formula: C23H30N2O MolecularWeight: 350.4971

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=C(C=C1)OCC23CCC(CC2)(CC3)CCC)C#N)C#N

Isomeric SMILES

CCCC1=C(C(=C(C=C1)OCC23CCC(CC2)(CC3)CCC)C#N)C#N

InChI

InChI=1S/C23H30N2O/c1-3-5-18-6-7-21(20(16-25)19(18)15-24)26-17-23-12-9-22(8-4-2,10-13-23)11-14-23/h6-7H,3-5,8-14,17H2,1-2H3