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

Systemtic Name: 3-(3-cyano-4-pentyl-phenyl)-6-(1-pentyl-4-bicyclo[2.2.2]octanyl)benzene-1,2-dicarbonitrile Openeye Name: 3-(3-cyano-4-pentyl-phenyl)-6-(1-pentyl-4-bicyclo[2.2.2]octanyl)phthalonitrile CAS Name: 3-(3-cyano-4-pentylphenyl)-6-(1-pentyl-4-bicyclo[2.2.2]octanyl)benzene-1,2-dicarbonitrile IUPAC Name: 3-(3-cyano-4-pentylphenyl)-6-(1-pentyl-4-bicyclo[2.2.2]octanyl)benzene-1,2-dicarbonitrile Traditional Name: 3-(1-amyl-4-bicyclo[2.2.2]octanyl)-6-(4-amyl-3-cyano-phenyl)phthalonitrile Formula: C33H39N3 MolecularWeight: 477.68286

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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)CCCCC)C#N)C#N)C#N

Isomeric SMILES

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

InChI

InChI=1S/C33H39N3/c1-3-5-7-9-25-10-11-26(21-27(25)22-34)28-12-13-31(30(24-36)29(28)23-35)33-18-15-32(16-19-33,17-20-33)14-8-6-4-2/h10-13,21H,3-9,14-20H2,1-2H3