2-(4-bromanyl-2,5-dimethyl-phenyl)-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione

Systemtic Name: 2-(4-bromanyl-2,5-dimethyl-phenyl)-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione Openeye Name: 2-(4-bromo-2,5-dimethyl-phenyl)-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione CAS Name: 2-(4-bromo-2,5-dimethylphenyl)-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione IUPAC Name: 2-(4-bromo-2,5-dimethylphenyl)-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione Traditional Name: 2-(4-bromo-2,5-dimethyl-phenyl)-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-quinone Formula: C22H22BrNO2 MolecularWeight: 412.31958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)N2C(=O)C3CCC(CC3C2=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)N2C(=O)C3CCC(CC3C2=O)C4=CC=CC=C4

InChI

InChI=1S/C22H22BrNO2/c1-13-11-20(14(2)10-19(13)23)24-21(25)17-9-8-16(12-18(17)22(24)26)15-6-4-3-5-7-15/h3-7,10-11,16-18H,8-9,12H2,1-2H3