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

Systemtic Name: 3-[2-(2-chloranyl-4-propyl-phenyl)ethyl]-6-(1-propyl-4-bicyclo[2.2.2]octanyl)benzene-1,2-dicarbonitrile Openeye Name: 3-[2-(2-chloro-4-propyl-phenyl)ethyl]-6-(1-propyl-4-bicyclo[2.2.2]octanyl)phthalonitrile CAS Name: 3-[2-(2-chloro-4-propylphenyl)ethyl]-6-(1-propyl-4-bicyclo[2.2.2]octanyl)benzene-1,2-dicarbonitrile IUPAC Name: 3-[2-(2-chloro-4-propylphenyl)ethyl]-6-(1-propyl-4-bicyclo[2.2.2]octanyl)benzene-1,2-dicarbonitrile Traditional Name: 3-[2-(2-chloro-4-propyl-phenyl)ethyl]-6-(1-propyl-4-bicyclo[2.2.2]octanyl)phthalonitrile Formula: C30H35ClN2 MolecularWeight: 459.0653

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1)CCC2=C(C(=C(C=C2)C34CCC(CC3)(CC4)CCC)C#N)C#N)Cl

Isomeric SMILES

CCCC1=CC(=C(C=C1)CCC2=C(C(=C(C=C2)C34CCC(CC3)(CC4)CCC)C#N)C#N)Cl

InChI

InChI=1S/C30H35ClN2/c1-3-5-22-6-7-24(28(31)19-22)9-8-23-10-11-27(26(21-33)25(23)20-32)30-16-13-29(12-4-2,14-17-30)15-18-30/h6-7,10-11,19H,3-5,8-9,12-18H2,1-2H3