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

Systemtic Name: 3-(4-butoxy-3-cyano-phenyl)-6-(1-propyl-4-bicyclo[2.2.2]octanyl)benzene-1,2-dicarbonitrile Openeye Name: 3-(4-butoxy-3-cyano-phenyl)-6-(1-propyl-4-bicyclo[2.2.2]octanyl)phthalonitrile CAS Name: 3-(4-butoxy-3-cyanophenyl)-6-(1-propyl-4-bicyclo[2.2.2]octanyl)benzene-1,2-dicarbonitrile IUPAC Name: 3-(4-butoxy-3-cyanophenyl)-6-(1-propyl-4-bicyclo[2.2.2]octanyl)benzene-1,2-dicarbonitrile Traditional Name: 3-(4-butoxy-3-cyano-phenyl)-6-(1-propyl-4-bicyclo[2.2.2]octanyl)phthalonitrile Formula: C30H33N3O MolecularWeight: 451.60252

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C2=C(C(=C(C=C2)C34CCC(CC3)(CC4)CCC)C#N)C#N)C#N

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C2=C(C(=C(C=C2)C34CCC(CC3)(CC4)CCC)C#N)C#N)C#N

InChI

InChI=1S/C30H33N3O/c1-3-5-17-34-28-9-6-22(18-23(28)19-31)24-7-8-27(26(21-33)25(24)20-32)30-14-11-29(10-4-2,12-15-30)13-16-30/h6-9,18H,3-5,10-17H2,1-2H3