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

Systemtic Name: 3-pentyl-6-[(1-propyl-4-bicyclo[2.2.2]octanyl)methoxy]benzene-1,2-dicarbonitrile Openeye Name: 3-pentyl-6-[(1-propyl-4-bicyclo[2.2.2]octanyl)methoxy]phthalonitrile CAS Name: 3-pentyl-6-[(1-propyl-4-bicyclo[2.2.2]octanyl)methoxy]benzene-1,2-dicarbonitrile IUPAC Name: 3-pentyl-6-[(1-propyl-4-bicyclo[2.2.2]octanyl)methoxy]benzene-1,2-dicarbonitrile Traditional Name: 3-amyl-6-[(1-propyl-4-bicyclo[2.2.2]octanyl)methoxy]phthalonitrile Formula: C25H34N2O MolecularWeight: 378.55026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C(=C(C=C1)OCC23CCC(CC2)(CC3)CCC)C#N)C#N

Isomeric SMILES

CCCCCC1=C(C(=C(C=C1)OCC23CCC(CC2)(CC3)CCC)C#N)C#N

InChI

InChI=1S/C25H34N2O/c1-3-5-6-7-20-8-9-23(22(18-27)21(20)17-26)28-19-25-14-11-24(10-4-2,12-15-25)13-16-25/h8-9H,3-7,10-16,19H2,1-2H3