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

Systemtic Name: 2-(3-azanylidene-5,6-diethoxy-4-fluoranyl-1H-isoindol-2-yl)-1-[3-tert-butyl-4-methoxy-5-(methylamino)phenyl]ethanone hydrobromide Openeye Name: 1-[3-tert-butyl-4-methoxy-5-(methylamino)phenyl]-2-(5,6-diethoxy-7-fluoro-1-imino-isoindolin-2-yl)ethanone hydrobromide CAS Name: 1-[3-tert-butyl-4-methoxy-5-(methylamino)phenyl]-2-(5,6-diethoxy-4-fluoro-3-imino-1H-isoindol-2-yl)ethanone hydrobromide IUPAC Name: 1-[3-tert-butyl-4-methoxy-5-(methylamino)phenyl]-2-(5,6-diethoxy-4-fluoro-3-imino-1H-isoindol-2-yl)ethanone hydrobromide Traditional Name: 1-[3-tert-butyl-4-methoxy-5-(methylamino)phenyl]-2-(5,6-diethoxy-7-fluoro-1-imino-isoindolin-2-yl)ethanone hydrobromide Formula: C26H35BrFN3O4 MolecularWeight: 552.476203

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=C2C(=C1)CN(C2=N)CC(=O)C3=CC(=C(C(=C3)NC)OC)C(C)(C)C)F)OCC.Br

Isomeric SMILES

CCOC1=C(C(=C2C(=C1)CN(C2=N)CC(=O)C3=CC(=C(C(=C3)NC)OC)C(C)(C)C)F)OCC.Br

InChI

InChI=1S/C26H34FN3O4.BrH/c1-8-33-20-12-16-13-30(25(28)21(16)22(27)24(20)34-9-2)14-19(31)15-10-17(26(3,4)5)23(32-7)18(11-15)29-6;/h10-12,28-29H,8-9,13-14H2,1-7H3;1H