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

Systemtic Name: 4-methoxy-3-(1-pentyl-4-bicyclo[2.2.2]octanyl)-6-(1-propyl-4-bicyclo[2.2.2]octanyl)benzene-1,2-dicarbonitrile Openeye Name: 4-methoxy-3-(1-pentyl-4-bicyclo[2.2.2]octanyl)-6-(1-propyl-4-bicyclo[2.2.2]octanyl)phthalonitrile CAS Name: 4-methoxy-3-(1-pentyl-4-bicyclo[2.2.2]octanyl)-6-(1-propyl-4-bicyclo[2.2.2]octanyl)benzene-1,2-dicarbonitrile IUPAC Name: 4-methoxy-3-(1-pentyl-4-bicyclo[2.2.2]octanyl)-6-(1-propyl-4-bicyclo[2.2.2]octanyl)benzene-1,2-dicarbonitrile Traditional Name: 3-(1-amyl-4-bicyclo[2.2.2]octanyl)-4-methoxy-6-(1-propyl-4-bicyclo[2.2.2]octanyl)phthalonitrile Formula: C33H46N2O MolecularWeight: 486.73114

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC12CCC(CC1)(CC2)C3=C(C=C(C(=C3C#N)C#N)C45CCC(CC4)(CC5)CCC)OC

Isomeric SMILES

CCCCCC12CCC(CC1)(CC2)C3=C(C=C(C(=C3C#N)C#N)C45CCC(CC4)(CC5)CCC)OC

InChI

InChI=1S/C33H46N2O/c1-4-6-7-9-31-13-19-33(20-14-31,21-15-31)29-26(24-35)25(23-34)27(22-28(29)36-3)32-16-10-30(8-5-2,11-17-32)12-18-32/h22H,4-21H2,1-3H3