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

Systemtic Name: 3-(3-cyano-4-pentyl-phenyl)-6-(1-propyl-4-bicyclo[2.2.2]octanyl)benzene-1,2-dicarbonitrile Openeye Name: 3-(3-cyano-4-pentyl-phenyl)-6-(1-propyl-4-bicyclo[2.2.2]octanyl)phthalonitrile CAS Name: 3-(3-cyano-4-pentylphenyl)-6-(1-propyl-4-bicyclo[2.2.2]octanyl)benzene-1,2-dicarbonitrile IUPAC Name: 3-(3-cyano-4-pentylphenyl)-6-(1-propyl-4-bicyclo[2.2.2]octanyl)benzene-1,2-dicarbonitrile Traditional Name: 3-(4-amyl-3-cyano-phenyl)-6-(1-propyl-4-bicyclo[2.2.2]octanyl)phthalonitrile Formula: C31H35N3 MolecularWeight: 449.6297

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C=C(C=C1)C2=C(C(=C(C=C2)C34CCC(CC3)(CC4)CCC)C#N)C#N)C#N

Isomeric SMILES

CCCCCC1=C(C=C(C=C1)C2=C(C(=C(C=C2)C34CCC(CC3)(CC4)CCC)C#N)C#N)C#N

InChI

InChI=1S/C31H35N3/c1-3-5-6-7-23-8-9-24(19-25(23)20-32)26-10-11-29(28(22-34)27(26)21-33)31-16-13-30(12-4-2,14-17-31)15-18-31/h8-11,19H,3-7,12-18H2,1-2H3