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

Systemtic Name: 3-(1-pentyl-4-bicyclo[2.2.2]octanyl)-6-(4-propylphenyl)benzene-1,2-dicarbonitrile Openeye Name: 3-(1-pentyl-4-bicyclo[2.2.2]octanyl)-6-(4-propylphenyl)phthalonitrile CAS Name: 3-(1-pentyl-4-bicyclo[2.2.2]octanyl)-6-(4-propylphenyl)benzene-1,2-dicarbonitrile IUPAC Name: 3-(1-pentyl-4-bicyclo[2.2.2]octanyl)-6-(4-propylphenyl)benzene-1,2-dicarbonitrile Traditional Name: 3-(1-amyl-4-bicyclo[2.2.2]octanyl)-6-(4-propylphenyl)phthalonitrile Formula: C30H36N2 MolecularWeight: 424.62024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H36N2/c1-3-5-6-14-29-15-18-30(19-16-29,20-17-29)28-13-12-25(26(21-31)27(28)22-32)24-10-8-23(7-4-2)9-11-24/h8-13H,3-7,14-20H2,1-2H3