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

Systemtic Name: 3-(1-heptyl-4-bicyclo[2.2.2]octanyl)-6-pentyl-benzene-1,2-dicarbonitrile Openeye Name: 3-(1-heptyl-4-bicyclo[2.2.2]octanyl)-6-pentyl-phthalonitrile CAS Name: 3-(1-heptyl-4-bicyclo[2.2.2]octanyl)-6-pentylbenzene-1,2-dicarbonitrile IUPAC Name: 3-(1-heptyl-4-bicyclo[2.2.2]octanyl)-6-pentylbenzene-1,2-dicarbonitrile Traditional Name: 3-amyl-6-(1-heptyl-4-bicyclo[2.2.2]octanyl)phthalonitrile Formula: C28H40N2 MolecularWeight: 404.6306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC12CCC(CC1)(CC2)C3=C(C(=C(C=C3)CCCCC)C#N)C#N

Isomeric SMILES

CCCCCCCC12CCC(CC1)(CC2)C3=C(C(=C(C=C3)CCCCC)C#N)C#N

InChI

InChI=1S/C28H40N2/c1-3-5-7-8-10-14-27-15-18-28(19-16-27,20-17-27)26-13-12-23(11-9-6-4-2)24(21-29)25(26)22-30/h12-13H,3-11,14-20H2,1-2H3