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

Systemtic Name: 3-butoxy-6-(1-pentyl-4-bicyclo[2.2.2]octanyl)benzene-1,2-dicarbonitrile Openeye Name: 3-butoxy-6-(1-pentyl-4-bicyclo[2.2.2]octanyl)phthalonitrile CAS Name: 3-butoxy-6-(1-pentyl-4-bicyclo[2.2.2]octanyl)benzene-1,2-dicarbonitrile IUPAC Name: 3-butoxy-6-(1-pentyl-4-bicyclo[2.2.2]octanyl)benzene-1,2-dicarbonitrile Traditional Name: 3-(1-amyl-4-bicyclo[2.2.2]octanyl)-6-butoxy-phthalonitrile Formula: C25H34N2O MolecularWeight: 378.55026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC12CCC(CC1)(CC2)C3=C(C(=C(C=C3)OCCCC)C#N)C#N

Isomeric SMILES

CCCCCC12CCC(CC1)(CC2)C3=C(C(=C(C=C3)OCCCC)C#N)C#N

InChI

InChI=1S/C25H34N2O/c1-3-5-7-10-24-11-14-25(15-12-24,16-13-24)22-8-9-23(28-17-6-4-2)21(19-27)20(22)18-26/h8-9H,3-7,10-17H2,1-2H3