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

Systemtic Name: 3-(1-heptyl-4-bicyclo[2.2.2]octanyl)-6-(4-methoxyphenyl)benzene-1,2-dicarbonitrile Openeye Name: 3-(1-heptyl-4-bicyclo[2.2.2]octanyl)-6-(4-methoxyphenyl)phthalonitrile CAS Name: 3-(1-heptyl-4-bicyclo[2.2.2]octanyl)-6-(4-methoxyphenyl)benzene-1,2-dicarbonitrile IUPAC Name: 3-(1-heptyl-4-bicyclo[2.2.2]octanyl)-6-(4-methoxyphenyl)benzene-1,2-dicarbonitrile Traditional Name: 3-(1-heptyl-4-bicyclo[2.2.2]octanyl)-6-(4-methoxyphenyl)phthalonitrile Formula: C30H36N2O MolecularWeight: 440.61964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H36N2O/c1-3-4-5-6-7-14-29-15-18-30(19-16-29,20-17-29)28-13-12-25(26(21-31)27(28)22-32)23-8-10-24(33-2)11-9-23/h8-13H,3-7,14-20H2,1-2H3