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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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