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

Systemtic Name: 2-(3-azanylidene-4-fluoranyl-5,6-dimethoxy-1H-isoindol-2-yl)-1-(3-tert-butyl-4-methoxy-5-propan-2-yloxy-phenyl)ethanone hydrobromide Openeye Name: 1-(3-tert-butyl-5-isopropoxy-4-methoxy-phenyl)-2-(7-fluoro-1-imino-5,6-dimethoxy-isoindolin-2-yl)ethanone hydrobromide CAS Name: 1-(3-tert-butyl-4-methoxy-5-propan-2-yloxyphenyl)-2-(4-fluoro-3-imino-5,6-dimethoxy-1H-isoindol-2-yl)ethanone hydrobromide IUPAC Name: 1-(3-tert-butyl-4-methoxy-5-propan-2-yloxyphenyl)-2-(4-fluoro-3-imino-5,6-dimethoxy-1H-isoindol-2-yl)ethanone hydrobromide Traditional Name: 1-(3-tert-butyl-5-isopropoxy-4-methoxy-phenyl)-2-(7-fluoro-1-imino-5,6-dimethoxy-isoindolin-2-yl)ethanone hydrobromide Formula: C26H34BrFN2O5 MolecularWeight: 553.460963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC(=CC(=C1OC)C(C)(C)C)C(=O)CN2CC3=CC(=C(C(=C3C2=N)F)OC)OC.Br

Isomeric SMILES

CC(C)OC1=CC(=CC(=C1OC)C(C)(C)C)C(=O)CN2CC3=CC(=C(C(=C3C2=N)F)OC)OC.Br

InChI

InChI=1S/C26H33FN2O5.BrH/c1-14(2)34-20-10-15(9-17(23(20)32-7)26(3,4)5)18(30)13-29-12-16-11-19(31-6)24(33-8)22(27)21(16)25(29)28;/h9-11,14,28H,12-13H2,1-8H3;1H