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

Systemtic Name: 1-(3-azanyl-5-tert-butyl-4-methoxy-phenyl)-2-(3-azanylidene-5,6-diethoxy-4-fluoranyl-1H-isoindol-2-yl)ethanone hydrobromide Openeye Name: 1-(3-amino-5-tert-butyl-4-methoxy-phenyl)-2-(5,6-diethoxy-7-fluoro-1-imino-isoindolin-2-yl)ethanone hydrobromide CAS Name: 1-(3-amino-5-tert-butyl-4-methoxyphenyl)-2-(5,6-diethoxy-4-fluoro-3-imino-1H-isoindol-2-yl)ethanone hydrobromide IUPAC Name: 1-(3-amino-5-tert-butyl-4-methoxyphenyl)-2-(5,6-diethoxy-4-fluoro-3-imino-1H-isoindol-2-yl)ethanone hydrobromide Traditional Name: 1-(3-amino-5-tert-butyl-4-methoxy-phenyl)-2-(5,6-diethoxy-7-fluoro-1-imino-isoindolin-2-yl)ethanone hydrobromide Formula: C25H33BrFN3O4 MolecularWeight: 538.449623

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

InChI

InChI=1S/C25H32FN3O4.BrH/c1-7-32-19-11-15-12-29(24(28)20(15)21(26)23(19)33-8-2)13-18(30)14-9-16(25(3,4)5)22(31-6)17(27)10-14;/h9-11,28H,7-8,12-13,27H2,1-6H3;1H