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

Systemtic Name: 3-[2-(2-bromanyl-4-propyl-phenyl)ethyl]-6-(1-pentyl-4-bicyclo[2.2.2]octanyl)benzene-1,2-dicarbonitrile Openeye Name: 3-[2-(2-bromo-4-propyl-phenyl)ethyl]-6-(1-pentyl-4-bicyclo[2.2.2]octanyl)phthalonitrile CAS Name: 3-[2-(2-bromo-4-propylphenyl)ethyl]-6-(1-pentyl-4-bicyclo[2.2.2]octanyl)benzene-1,2-dicarbonitrile IUPAC Name: 3-[2-(2-bromo-4-propylphenyl)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-(2-bromo-4-propyl-phenyl)ethyl]phthalonitrile Formula: C32H39BrN2 MolecularWeight: 531.56946

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC12CCC(CC1)(CC2)C3=C(C(=C(C=C3)CCC4=C(C=C(C=C4)CCC)Br)C#N)C#N

Isomeric SMILES

CCCCCC12CCC(CC1)(CC2)C3=C(C(=C(C=C3)CCC4=C(C=C(C=C4)CCC)Br)C#N)C#N

InChI

InChI=1S/C32H39BrN2/c1-3-5-6-14-31-15-18-32(19-16-31,20-17-31)29-13-12-25(27(22-34)28(29)23-35)10-11-26-9-8-24(7-4-2)21-30(26)33/h8-9,12-13,21H,3-7,10-11,14-20H2,1-2H3