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

Systemtic Name: 3-[2-[2-bromanyl-4-(1-propyl-4-bicyclo[2.2.2]octanyl)phenyl]ethyl]-6-propyl-benzene-1,2-dicarbonitrile Openeye Name: 3-[2-[2-bromo-4-(1-propyl-4-bicyclo[2.2.2]octanyl)phenyl]ethyl]-6-propyl-phthalonitrile CAS Name: 3-[2-[2-bromo-4-(1-propyl-4-bicyclo[2.2.2]octanyl)phenyl]ethyl]-6-propylbenzene-1,2-dicarbonitrile IUPAC Name: 3-[2-[2-bromo-4-(1-propyl-4-bicyclo[2.2.2]octanyl)phenyl]ethyl]-6-propylbenzene-1,2-dicarbonitrile Traditional Name: 3-[2-[2-bromo-4-(1-propyl-4-bicyclo[2.2.2]octanyl)phenyl]ethyl]-6-propyl-phthalonitrile Formula: C30H35BrN2 MolecularWeight: 503.5163

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=C(C=C1)CCC2=C(C=C(C=C2)C34CCC(CC3)(CC4)CCC)Br)C#N)C#N

Isomeric SMILES

CCCC1=C(C(=C(C=C1)CCC2=C(C=C(C=C2)C34CCC(CC3)(CC4)CCC)Br)C#N)C#N

InChI

InChI=1S/C30H35BrN2/c1-3-5-22-6-7-23(27(21-33)26(22)20-32)8-9-24-10-11-25(19-28(24)31)30-16-13-29(12-4-2,14-17-30)15-18-30/h6-7,10-11,19H,3-5,8-9,12-18H2,1-2H3