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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC12CCC(CC1)(CC2)C3=C(C(=C(C=C3)C4=CC=C(C=C4)OCCC)C#N)C#N

Isomeric SMILES

CCCCCC12CCC(CC1)(CC2)C3=C(C(=C(C=C3)C4=CC=C(C=C4)OCCC)C#N)C#N

InChI

InChI=1S/C30H36N2O/c1-3-5-6-13-29-14-17-30(18-15-29,19-16-29)28-12-11-25(26(21-31)27(28)22-32)23-7-9-24(10-8-23)33-20-4-2/h7-12H,3-6,13-20H2,1-2H3