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

Systemtic Name: 2-(4-bromanyl-3-chloranyl-2-methyl-phenyl)-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione Openeye Name: 2-(4-bromo-3-chloro-2-methyl-phenyl)-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione CAS Name: 2-(4-bromo-3-chloro-2-methylphenyl)-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione IUPAC Name: 2-(4-bromo-3-chloro-2-methylphenyl)-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione Traditional Name: 2-(4-bromo-3-chloro-2-methyl-phenyl)-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-quinone Formula: C21H19BrClNO2 MolecularWeight: 432.73806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1Cl)Br)N2C(=O)C3CCC(CC3C2=O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1Cl)Br)N2C(=O)C3CCC(CC3C2=O)C4=CC=CC=C4

InChI

InChI=1S/C21H19BrClNO2/c1-12-18(10-9-17(22)19(12)23)24-20(25)15-8-7-14(11-16(15)21(24)26)13-5-3-2-4-6-13/h2-6,9-10,14-16H,7-8,11H2,1H3