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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC12CCC(CC1)(CC2)C3=C(C(=C(C=C3)C4=CC(=C(C=C4)CCC)Br)C#N)C#N

Isomeric SMILES

CCCCCC12CCC(CC1)(CC2)C3=C(C(=C(C=C3)C4=CC(=C(C=C4)CCC)Br)C#N)C#N

InChI

InChI=1S/C30H35BrN2/c1-3-5-6-12-29-13-16-30(17-14-29,18-15-29)27-11-10-24(25(20-32)26(27)21-33)23-9-8-22(7-4-2)28(31)19-23/h8-11,19H,3-7,12-18H2,1-2H3