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

Systemtic Name: 3-(3-bromanyl-4-propyl-phenyl)-6-(1-propyl-4-bicyclo[2.2.2]octanyl)benzene-1,2-dicarbonitrile Openeye Name: 3-(3-bromo-4-propyl-phenyl)-6-(1-propyl-4-bicyclo[2.2.2]octanyl)phthalonitrile CAS Name: 3-(3-bromo-4-propylphenyl)-6-(1-propyl-4-bicyclo[2.2.2]octanyl)benzene-1,2-dicarbonitrile IUPAC Name: 3-(3-bromo-4-propylphenyl)-6-(1-propyl-4-bicyclo[2.2.2]octanyl)benzene-1,2-dicarbonitrile Traditional Name: 3-(3-bromo-4-propyl-phenyl)-6-(1-propyl-4-bicyclo[2.2.2]octanyl)phthalonitrile Formula: C28H31BrN2 MolecularWeight: 475.46314

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(C=C1)C2=C(C(=C(C=C2)C34CCC(CC3)(CC4)CCC)C#N)C#N)Br

Isomeric SMILES

CCCC1=C(C=C(C=C1)C2=C(C(=C(C=C2)C34CCC(CC3)(CC4)CCC)C#N)C#N)Br

InChI

InChI=1S/C28H31BrN2/c1-3-5-20-6-7-21(17-26(20)29)22-8-9-25(24(19-31)23(22)18-30)28-14-11-27(10-4-2,12-15-28)13-16-28/h6-9,17H,3-5,10-16H2,1-2H3