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

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

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

Isomeric SMILES

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

InChI

InChI=1S/C33H39N3/c1-3-5-6-14-32-15-18-33(19-16-32,20-17-32)31-13-12-27(29(23-35)30(31)24-36)11-10-26-9-8-25(7-4-2)21-28(26)22-34/h8-9,12-13,21H,3-7,10-11,14-20H2,1-2H3