2-(3-azanylidene-5,6-diethoxy-4-fluoranyl-1H-isoindol-2-yl)-1-(3-tert-butyl-5-morpholin-4-yl-4-oxidanyl-phenyl)ethanone hydrochloride

Systemtic Name: 2-(3-azanylidene-5,6-diethoxy-4-fluoranyl-1H-isoindol-2-yl)-1-(3-tert-butyl-5-morpholin-4-yl-4-oxidanyl-phenyl)ethanone hydrochloride Openeye Name: 1-(3-tert-butyl-4-hydroxy-5-morpholino-phenyl)-2-(5,6-diethoxy-7-fluoro-1-imino-isoindolin-2-yl)ethanone hydrochloride CAS Name: 1-[3-tert-butyl-4-hydroxy-5-(4-morpholinyl)phenyl]-2-(5,6-diethoxy-4-fluoro-3-imino-1H-isoindol-2-yl)ethanone hydrochloride IUPAC Name: 1-(3-tert-butyl-4-hydroxy-5-morpholin-4-ylphenyl)-2-(5,6-diethoxy-4-fluoro-3-imino-1H-isoindol-2-yl)ethanone hydrochloride Traditional Name: 1-(3-tert-butyl-4-hydroxy-5-morpholino-phenyl)-2-(5,6-diethoxy-7-fluoro-1-imino-isoindolin-2-yl)ethanone hydrochloride Formula: C28H37ClFN3O5 MolecularWeight: 550.061883

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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)N4CCOCC4)O)C(C)(C)C)F)OCC.Cl

Isomeric SMILES

CCOC1=C(C(=C2C(=C1)CN(C2=N)CC(=O)C3=CC(=C(C(=C3)N4CCOCC4)O)C(C)(C)C)F)OCC.Cl

InChI

InChI=1S/C28H36FN3O5.ClH/c1-6-36-22-14-18-15-32(27(30)23(18)24(29)26(22)37-7-2)16-21(33)17-12-19(28(3,4)5)25(34)20(13-17)31-8-10-35-11-9-31;/h12-14,30,34H,6-11,15-16H2,1-5H3;1H