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

Systemtic Name: 2-(4-bromanyl-2-ethyl-phenyl)-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione Openeye Name: 2-(4-bromo-2-ethyl-phenyl)-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione CAS Name: 2-(4-bromo-2-ethylphenyl)-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione IUPAC Name: 2-(4-bromo-2-ethylphenyl)-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione Traditional Name: 2-(4-bromo-2-ethyl-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:

CCC1=C(C=CC(=C1)Br)N2C(=O)C3CCC(CC3C2=O)C4=CC=CC=C4

Isomeric SMILES

CCC1=C(C=CC(=C1)Br)N2C(=O)C3CCC(CC3C2=O)C4=CC=CC=C4

InChI

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