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

Systemtic Name: 3-butyl-6-(1-propyl-4-bicyclo[2.2.2]octanyl)benzene-1,2-dicarbonitrile Openeye Name: 3-butyl-6-(1-propyl-4-bicyclo[2.2.2]octanyl)phthalonitrile CAS Name: 3-butyl-6-(1-propyl-4-bicyclo[2.2.2]octanyl)benzene-1,2-dicarbonitrile IUPAC Name: 3-butyl-6-(1-propyl-4-bicyclo[2.2.2]octanyl)benzene-1,2-dicarbonitrile Traditional Name: 3-butyl-6-(1-propyl-4-bicyclo[2.2.2]octanyl)phthalonitrile Formula: C23H30N2 MolecularWeight: 334.4977

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(C=C1)C23CCC(CC2)(CC3)CCC)C#N)C#N

Isomeric SMILES

CCCCC1=C(C(=C(C=C1)C23CCC(CC2)(CC3)CCC)C#N)C#N

InChI

InChI=1S/C23H30N2/c1-3-5-6-18-7-8-21(20(17-25)19(18)16-24)23-13-10-22(9-4-2,11-14-23)12-15-23/h7-8H,3-6,9-15H2,1-2H3