N-[2-[2-[(3-bromanyl-4-fluoranyl-phenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-oxidanylidene-ethyl]-3,4-bis(chloranyl)benzamide

Systemtic Name: N-[2-[2-[(3-bromanyl-4-fluoranyl-phenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-oxidanylidene-ethyl]-3,4-bis(chloranyl)benzamide Openeye Name: N-[2-[2-[(3-bromo-4-fluoro-phenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-oxo-ethyl]-3,4-dichloro-benzamide CAS Name: N-[2-[2-[(3-bromo-4-fluorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]-3,4-dichlorobenzamide IUPAC Name: N-[2-[2-[(3-bromo-4-fluorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]-3,4-dichlorobenzamide Traditional Name: N-[2-[2-(3-bromo-4-fluoro-benzyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-keto-ethyl]-3,4-dichloro-benzamide Formula: C22H21BrCl2FN3O2 MolecularWeight: 529.229443

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CN(CC2CN1CC3=CC(=C(C=C3)F)Br)C(=O)CNC(=O)C4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

C1C2CN(CC2CN1CC3=CC(=C(C=C3)F)Br)C(=O)CNC(=O)C4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C22H21BrCl2FN3O2/c23-17-5-13(1-4-20(17)26)8-28-9-15-11-29(12-16(15)10-28)21(30)7-27-22(31)14-2-3-18(24)19(25)6-14/h1-6,15-16H,7-12H2,(H,27,31)