2-(3-azanylidene-4-fluoranyl-5,6-dimethoxy-1H-isoindol-2-yl)-1-[3-tert-butyl-5-(dimethylamino)-4-methoxy-phenyl]ethanone hydrobromide

Systemtic Name: 2-(3-azanylidene-4-fluoranyl-5,6-dimethoxy-1H-isoindol-2-yl)-1-[3-tert-butyl-5-(dimethylamino)-4-methoxy-phenyl]ethanone hydrobromide Openeye Name: 1-[3-tert-butyl-5-(dimethylamino)-4-methoxy-phenyl]-2-(7-fluoro-1-imino-5,6-dimethoxy-isoindolin-2-yl)ethanone hydrobromide CAS Name: 1-[3-tert-butyl-5-(dimethylamino)-4-methoxyphenyl]-2-(4-fluoro-3-imino-5,6-dimethoxy-1H-isoindol-2-yl)ethanone hydrobromide IUPAC Name: 1-[3-tert-butyl-5-(dimethylamino)-4-methoxyphenyl]-2-(4-fluoro-3-imino-5,6-dimethoxy-1H-isoindol-2-yl)ethanone hydrobromide Traditional Name: 1-[3-tert-butyl-5-(dimethylamino)-4-methoxy-phenyl]-2-(7-fluoro-1-imino-5,6-dimethoxy-isoindolin-2-yl)ethanone hydrobromide Formula: C25H33BrFN3O4 MolecularWeight: 538.449623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=CC(=C1)C(=O)CN2CC3=CC(=C(C(=C3C2=N)F)OC)OC)N(C)C)OC.Br

Isomeric SMILES

CC(C)(C)C1=C(C(=CC(=C1)C(=O)CN2CC3=CC(=C(C(=C3C2=N)F)OC)OC)N(C)C)OC.Br

InChI

InChI=1S/C25H32FN3O4.BrH/c1-25(2,3)16-9-14(10-17(28(4)5)22(16)32-7)18(30)13-29-12-15-11-19(31-6)23(33-8)21(26)20(15)24(29)27;/h9-11,27H,12-13H2,1-8H3;1H