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

Systemtic Name: 3-(4-propoxyphenyl)-6-(1-propyl-4-bicyclo[2.2.2]octanyl)benzene-1,2-dicarbonitrile Openeye Name: 3-(4-propoxyphenyl)-6-(1-propyl-4-bicyclo[2.2.2]octanyl)phthalonitrile CAS Name: 3-(4-propoxyphenyl)-6-(1-propyl-4-bicyclo[2.2.2]octanyl)benzene-1,2-dicarbonitrile IUPAC Name: 3-(4-propoxyphenyl)-6-(1-propyl-4-bicyclo[2.2.2]octanyl)benzene-1,2-dicarbonitrile Traditional Name: 3-(4-propoxyphenyl)-6-(1-propyl-4-bicyclo[2.2.2]octanyl)phthalonitrile Formula: C28H32N2O MolecularWeight: 412.56648

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Descriptors Computed from Structure

Canonical SMILES:

CCCC12CCC(CC1)(CC2)C3=C(C(=C(C=C3)C4=CC=C(C=C4)OCCC)C#N)C#N

Isomeric SMILES

CCCC12CCC(CC1)(CC2)C3=C(C(=C(C=C3)C4=CC=C(C=C4)OCCC)C#N)C#N

InChI

InChI=1S/C28H32N2O/c1-3-11-27-12-15-28(16-13-27,17-14-27)26-10-9-23(24(19-29)25(26)20-30)21-5-7-22(8-6-21)31-18-4-2/h5-10H,3-4,11-18H2,1-2H3