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

Systemtic Name: 3-(4-butoxyphenyl)-6-(1-heptyl-4-bicyclo[2.2.2]octanyl)benzene-1,2-dicarbonitrile Openeye Name: 3-(4-butoxyphenyl)-6-(1-heptyl-4-bicyclo[2.2.2]octanyl)phthalonitrile CAS Name: 3-(4-butoxyphenyl)-6-(1-heptyl-4-bicyclo[2.2.2]octanyl)benzene-1,2-dicarbonitrile IUPAC Name: 3-(4-butoxyphenyl)-6-(1-heptyl-4-bicyclo[2.2.2]octanyl)benzene-1,2-dicarbonitrile Traditional Name: 3-(4-butoxyphenyl)-6-(1-heptyl-4-bicyclo[2.2.2]octanyl)phthalonitrile Formula: C33H42N2O MolecularWeight: 482.69938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H42N2O/c1-3-5-7-8-9-16-32-17-20-33(21-18-32,22-19-32)31-15-14-28(29(24-34)30(31)25-35)26-10-12-27(13-11-26)36-23-6-4-2/h10-15H,3-9,16-23H2,1-2H3