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

Systemtic Name: 3-(1-butyl-4-bicyclo[2.2.2]octanyl)-6-pentyl-benzene-1,2-dicarbonitrile Openeye Name: 3-(1-butyl-4-bicyclo[2.2.2]octanyl)-6-pentyl-phthalonitrile CAS Name: 3-(1-butyl-4-bicyclo[2.2.2]octanyl)-6-pentylbenzene-1,2-dicarbonitrile IUPAC Name: 3-(1-butyl-4-bicyclo[2.2.2]octanyl)-6-pentylbenzene-1,2-dicarbonitrile Traditional Name: 3-amyl-6-(1-butyl-4-bicyclo[2.2.2]octanyl)phthalonitrile Formula: C25H34N2 MolecularWeight: 362.55086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C(=C(C=C1)C23CCC(CC2)(CC3)CCCC)C#N)C#N

Isomeric SMILES

CCCCCC1=C(C(=C(C=C1)C23CCC(CC2)(CC3)CCCC)C#N)C#N

InChI

InChI=1S/C25H34N2/c1-3-5-7-8-20-9-10-23(22(19-27)21(20)18-26)25-15-12-24(13-16-25,14-17-25)11-6-4-2/h9-10H,3-8,11-17H2,1-2H3