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

Systemtic Name: 2-(3-azanylidene-5,6-diethoxy-4-fluoranyl-1H-isoindol-2-yl)-1-(3-tert-butyl-4-methoxy-5-pyrrolidin-1-yl-phenyl)ethanone hydrobromide Openeye Name: 1-(3-tert-butyl-4-methoxy-5-pyrrolidin-1-yl-phenyl)-2-(5,6-diethoxy-7-fluoro-1-imino-isoindolin-2-yl)ethanone hydrobromide CAS Name: 1-[3-tert-butyl-4-methoxy-5-(1-pyrrolidinyl)phenyl]-2-(5,6-diethoxy-4-fluoro-3-imino-1H-isoindol-2-yl)ethanone hydrobromide IUPAC Name: 1-(3-tert-butyl-4-methoxy-5-pyrrolidin-1-ylphenyl)-2-(5,6-diethoxy-4-fluoro-3-imino-1H-isoindol-2-yl)ethanone hydrobromide Traditional Name: 1-(3-tert-butyl-4-methoxy-5-pyrrolidino-phenyl)-2-(5,6-diethoxy-7-fluoro-1-imino-isoindolin-2-yl)ethanone hydrobromide Formula: C29H39BrFN3O4 MolecularWeight: 592.540063

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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)N4CCCC4)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)N4CCCC4)OC)C(C)(C)C)F)OCC.Br

InChI

InChI=1S/C29H38FN3O4.BrH/c1-7-36-23-15-19-16-33(28(31)24(19)25(30)27(23)37-8-2)17-22(34)18-13-20(29(3,4)5)26(35-6)21(14-18)32-11-9-10-12-32;/h13-15,31H,7-12,16-17H2,1-6H3;1H