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

Systemtic Name: 3-[2-(1-pentyl-4-bicyclo[2.2.2]octanyl)ethyl]-6-(4-propylphenyl)benzene-1,2-dicarbonitrile Openeye Name: 3-[2-(1-pentyl-4-bicyclo[2.2.2]octanyl)ethyl]-6-(4-propylphenyl)phthalonitrile CAS Name: 3-[2-(1-pentyl-4-bicyclo[2.2.2]octanyl)ethyl]-6-(4-propylphenyl)benzene-1,2-dicarbonitrile IUPAC Name: 3-[2-(1-pentyl-4-bicyclo[2.2.2]octanyl)ethyl]-6-(4-propylphenyl)benzene-1,2-dicarbonitrile Traditional Name: 3-[2-(1-amyl-4-bicyclo[2.2.2]octanyl)ethyl]-6-(4-propylphenyl)phthalonitrile Formula: C32H40N2 MolecularWeight: 452.6734

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC12CCC(CC1)(CC2)CCC3=C(C(=C(C=C3)C4=CC=C(C=C4)CCC)C#N)C#N

Isomeric SMILES

CCCCCC12CCC(CC1)(CC2)CCC3=C(C(=C(C=C3)C4=CC=C(C=C4)CCC)C#N)C#N

InChI

InChI=1S/C32H40N2/c1-3-5-6-15-31-17-20-32(21-18-31,22-19-31)16-14-27-12-13-28(30(24-34)29(27)23-33)26-10-8-25(7-4-2)9-11-26/h8-13H,3-7,14-22H2,1-2H3