2-[5-[2-(3-azanylidene-4-fluoranyl-5,6-dimethoxy-1H-isoindol-2-yl)ethanoyl]-3-tert-butyl-2-methoxy-phenoxy]ethanenitrile hydrobromide

Systemtic Name: 2-[5-[2-(3-azanylidene-4-fluoranyl-5,6-dimethoxy-1H-isoindol-2-yl)ethanoyl]-3-tert-butyl-2-methoxy-phenoxy]ethanenitrile hydrobromide Openeye Name: 2-[3-tert-butyl-5-[2-(7-fluoro-1-imino-5,6-dimethoxy-isoindolin-2-yl)acetyl]-2-methoxy-phenoxy]acetonitrile hydrobromide CAS Name: 2-[3-tert-butyl-5-[2-(4-fluoro-3-imino-5,6-dimethoxy-1H-isoindol-2-yl)-1-oxoethyl]-2-methoxyphenoxy]acetonitrile hydrobromide IUPAC Name: 2-[3-tert-butyl-5-[2-(4-fluoro-3-imino-5,6-dimethoxy-1H-isoindol-2-yl)acetyl]-2-methoxyphenoxy]acetonitrile hydrobromide Traditional Name: 2-[3-tert-butyl-5-[2-(7-fluoro-1-imino-5,6-dimethoxy-isoindolin-2-yl)acetyl]-2-methoxy-phenoxy]acetonitrile hydrobromide Formula: C25H29BrFN3O5 MolecularWeight: 550.417263

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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)OCC#N)OC.Br

Isomeric SMILES

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

InChI

InChI=1S/C25H28FN3O5.BrH/c1-25(2,3)16-9-14(10-19(22(16)32-5)34-8-7-27)17(30)13-29-12-15-11-18(31-4)23(33-6)21(26)20(15)24(29)28;/h9-11,28H,8,12-13H2,1-6H3;1H