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

Systemtic Name: 3-(1-hexyl-4-bicyclo[2.2.2]octanyl)-6-pentyl-benzene-1,2-dicarbonitrile Openeye Name: 3-(1-hexyl-4-bicyclo[2.2.2]octanyl)-6-pentyl-phthalonitrile CAS Name: 3-(1-hexyl-4-bicyclo[2.2.2]octanyl)-6-pentylbenzene-1,2-dicarbonitrile IUPAC Name: 3-(1-hexyl-4-bicyclo[2.2.2]octanyl)-6-pentylbenzene-1,2-dicarbonitrile Traditional Name: 3-amyl-6-(1-hexyl-4-bicyclo[2.2.2]octanyl)phthalonitrile Formula: C27H38N2 MolecularWeight: 390.60402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC12CCC(CC1)(CC2)C3=C(C(=C(C=C3)CCCCC)C#N)C#N

Isomeric SMILES

CCCCCCC12CCC(CC1)(CC2)C3=C(C(=C(C=C3)CCCCC)C#N)C#N

InChI

InChI=1S/C27H38N2/c1-3-5-7-9-13-26-14-17-27(18-15-26,19-16-26)25-12-11-22(10-8-6-4-2)23(20-28)24(25)21-29/h11-12H,3-10,13-19H2,1-2H3