3-(1-heptyl-4-bicyclo[2.2.2]octanyl)-6-(4-propoxyphenyl)benzene-1,2-dicarbonitrile

Systemtic Name: 3-(1-heptyl-4-bicyclo[2.2.2]octanyl)-6-(4-propoxyphenyl)benzene-1,2-dicarbonitrile Openeye Name: 3-(1-heptyl-4-bicyclo[2.2.2]octanyl)-6-(4-propoxyphenyl)phthalonitrile CAS Name: 3-(1-heptyl-4-bicyclo[2.2.2]octanyl)-6-(4-propoxyphenyl)benzene-1,2-dicarbonitrile IUPAC Name: 3-(1-heptyl-4-bicyclo[2.2.2]octanyl)-6-(4-propoxyphenyl)benzene-1,2-dicarbonitrile Traditional Name: 3-(1-heptyl-4-bicyclo[2.2.2]octanyl)-6-(4-propoxyphenyl)phthalonitrile Formula: C32H40N2O MolecularWeight: 468.6728

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC12CCC(CC1)(CC2)C3=C(C(=C(C=C3)C4=CC=C(C=C4)OCCC)C#N)C#N

Isomeric SMILES

CCCCCCCC12CCC(CC1)(CC2)C3=C(C(=C(C=C3)C4=CC=C(C=C4)OCCC)C#N)C#N

InChI

InChI=1S/C32H40N2O/c1-3-5-6-7-8-15-31-16-19-32(20-17-31,21-18-31)30-14-13-27(28(23-33)29(30)24-34)25-9-11-26(12-10-25)35-22-4-2/h9-14H,3-8,15-22H2,1-2H3