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

Systemtic Name: 2-(4-bromanyl-3-methyl-phenyl)-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione Openeye Name: 2-(4-bromo-3-methyl-phenyl)-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione CAS Name: 2-(4-bromo-3-methylphenyl)-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione IUPAC Name: 2-(4-bromo-3-methylphenyl)-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione Traditional Name: 2-(4-bromo-3-methyl-phenyl)-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-quinone Formula: C21H20BrNO2 MolecularWeight: 398.293

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2C(=O)C3CCC(CC3C2=O)C4=CC=CC=C4)Br

Isomeric SMILES

CC1=C(C=CC(=C1)N2C(=O)C3CCC(CC3C2=O)C4=CC=CC=C4)Br

InChI

InChI=1S/C21H20BrNO2/c1-13-11-16(8-10-19(13)22)23-20(24)17-9-7-15(12-18(17)21(23)25)14-5-3-2-4-6-14/h2-6,8,10-11,15,17-18H,7,9,12H2,1H3