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

Systemtic Name: 3-(3-bromanyl-4-butoxy-phenyl)-6-(1-propyl-4-bicyclo[2.2.2]octanyl)benzene-1,2-dicarbonitrile Openeye Name: 3-(3-bromo-4-butoxy-phenyl)-6-(1-propyl-4-bicyclo[2.2.2]octanyl)phthalonitrile CAS Name: 3-(3-bromo-4-butoxyphenyl)-6-(1-propyl-4-bicyclo[2.2.2]octanyl)benzene-1,2-dicarbonitrile IUPAC Name: 3-(3-bromo-4-butoxyphenyl)-6-(1-propyl-4-bicyclo[2.2.2]octanyl)benzene-1,2-dicarbonitrile Traditional Name: 3-(3-bromo-4-butoxy-phenyl)-6-(1-propyl-4-bicyclo[2.2.2]octanyl)phthalonitrile Formula: C29H33BrN2O MolecularWeight: 505.48912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C2=C(C(=C(C=C2)C34CCC(CC3)(CC4)CCC)C#N)C#N)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C2=C(C(=C(C=C2)C34CCC(CC3)(CC4)CCC)C#N)C#N)Br

InChI

InChI=1S/C29H33BrN2O/c1-3-5-17-33-27-9-6-21(18-26(27)30)22-7-8-25(24(20-32)23(22)19-31)29-14-11-28(10-4-2,12-15-29)13-16-29/h6-9,18H,3-5,10-17H2,1-2H3