2-(3-azanylidene-5,6-diethoxy-4-fluoranyl-1H-isoindol-2-yl)-1-(4-methyl-8-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanone hydrobromide

Systemtic Name: 2-(3-azanylidene-5,6-diethoxy-4-fluoranyl-1H-isoindol-2-yl)-1-(4-methyl-8-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanone hydrobromide Openeye Name: 2-(5,6-diethoxy-7-fluoro-1-imino-isoindolin-2-yl)-1-(8-isopropyl-4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanone hydrobromide CAS Name: 2-(5,6-diethoxy-4-fluoro-3-imino-1H-isoindol-2-yl)-1-(4-methyl-8-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanone hydrobromide IUPAC Name: 2-(5,6-diethoxy-4-fluoro-3-imino-1H-isoindol-2-yl)-1-(4-methyl-8-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanone hydrobromide Traditional Name: 2-(5,6-diethoxy-7-fluoro-1-imino-isoindolin-2-yl)-1-(8-isopropyl-4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanone hydrobromide Formula: C26H33BrFN3O4 MolecularWeight: 550.460323

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=C2C(=C1)CN(C2=N)CC(=O)C3=CC(=C4C(=C3)N(CCO4)C)C(C)C)F)OCC.Br

Isomeric SMILES

CCOC1=C(C(=C2C(=C1)CN(C2=N)CC(=O)C3=CC(=C4C(=C3)N(CCO4)C)C(C)C)F)OCC.Br

InChI

InChI=1S/C26H32FN3O4.BrH/c1-6-32-21-12-17-13-30(26(28)22(17)23(27)25(21)33-7-2)14-20(31)16-10-18(15(3)4)24-19(11-16)29(5)8-9-34-24;/h10-12,15,28H,6-9,13-14H2,1-5H3;1H