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

Systemtic Name: 3-[2-(3-bromanyl-4-pentyl-phenyl)ethyl]-6-(1-pentyl-4-bicyclo[2.2.2]octanyl)benzene-1,2-dicarbonitrile Openeye Name: 3-[2-(3-bromo-4-pentyl-phenyl)ethyl]-6-(1-pentyl-4-bicyclo[2.2.2]octanyl)phthalonitrile CAS Name: 3-[2-(3-bromo-4-pentylphenyl)ethyl]-6-(1-pentyl-4-bicyclo[2.2.2]octanyl)benzene-1,2-dicarbonitrile IUPAC Name: 3-[2-(3-bromo-4-pentylphenyl)ethyl]-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-[2-(4-amyl-3-bromo-phenyl)ethyl]phthalonitrile Formula: C34H43BrN2 MolecularWeight: 559.62262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C=C(C=C1)CCC2=C(C(=C(C=C2)C34CCC(CC3)(CC4)CCCCC)C#N)C#N)Br

Isomeric SMILES

CCCCCC1=C(C=C(C=C1)CCC2=C(C(=C(C=C2)C34CCC(CC3)(CC4)CCCCC)C#N)C#N)Br

InChI

InChI=1S/C34H43BrN2/c1-3-5-7-9-28-13-11-26(23-32(28)35)10-12-27-14-15-31(30(25-37)29(27)24-36)34-20-17-33(18-21-34,19-22-34)16-8-6-4-2/h11,13-15,23H,3-10,12,16-22H2,1-2H3