2-(3-azanylidene-4-fluoranyl-5,6-dimethoxy-1H-isoindol-2-yl)-1-(3,5-ditert-butyl-4-oxidanyl-phenyl)ethanone hydrobromide

Systemtic Name: 2-(3-azanylidene-4-fluoranyl-5,6-dimethoxy-1H-isoindol-2-yl)-1-(3,5-ditert-butyl-4-oxidanyl-phenyl)ethanone hydrobromide Openeye Name: 1-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-(7-fluoro-1-imino-5,6-dimethoxy-isoindolin-2-yl)ethanone hydrobromide CAS Name: 1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-(4-fluoro-3-imino-5,6-dimethoxy-1H-isoindol-2-yl)ethanone hydrobromide IUPAC Name: 1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-(4-fluoro-3-imino-5,6-dimethoxy-1H-isoindol-2-yl)ethanone hydrobromide Traditional Name: 1-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-(7-fluoro-1-imino-5,6-dimethoxy-isoindolin-2-yl)ethanone hydrobromide Formula: C26H34BrFN2O4 MolecularWeight: 537.461563

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)CN2CC3=CC(=C(C(=C3C2=N)F)OC)OC.Br

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)CN2CC3=CC(=C(C(=C3C2=N)F)OC)OC.Br

InChI

InChI=1S/C26H33FN2O4.BrH/c1-25(2,3)16-9-14(10-17(22(16)31)26(4,5)6)18(30)13-29-12-15-11-19(32-7)23(33-8)21(27)20(15)24(29)28;/h9-11,28,31H,12-13H2,1-8H3;1H