1-(3-azanylidene-5,6-diethoxy-4-fluoranyl-1H-isoindol-2-yl)-2-[4-oxidanyl-3-(4-oxidanylbutoxy)phenyl]hexan-1-one hydrobromide

Systemtic Name: 1-(3-azanylidene-5,6-diethoxy-4-fluoranyl-1H-isoindol-2-yl)-2-[4-oxidanyl-3-(4-oxidanylbutoxy)phenyl]hexan-1-one hydrobromide Openeye Name: 1-(5,6-diethoxy-7-fluoro-1-imino-isoindolin-2-yl)-2-[4-hydroxy-3-(4-hydroxybutoxy)phenyl]hexan-1-one hydrobromide CAS Name: 1-(5,6-diethoxy-4-fluoro-3-imino-1H-isoindol-2-yl)-2-[4-hydroxy-3-(4-hydroxybutoxy)phenyl]-1-hexanone hydrobromide IUPAC Name: 1-(5,6-diethoxy-4-fluoro-3-imino-1H-isoindol-2-yl)-2-[4-hydroxy-3-(4-hydroxybutoxy)phenyl]hexan-1-one hydrobromide Traditional Name: 1-(5,6-diethoxy-7-fluoro-1-imino-isoindolin-2-yl)-2-[4-hydroxy-3-(4-hydroxybutoxy)phenyl]hexan-1-one hydrobromide Formula: C28H38BrFN2O6 MolecularWeight: 597.513523

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CC(=C(C=C1)O)OCCCCO)C(=O)N2CC3=CC(=C(C(=C3C2=N)F)OCC)OCC.Br

Isomeric SMILES

CCCCC(C1=CC(=C(C=C1)O)OCCCCO)C(=O)N2CC3=CC(=C(C(=C3C2=N)F)OCC)OCC.Br

InChI

InChI=1S/C28H37FN2O6.BrH/c1-4-7-10-20(18-11-12-21(33)22(15-18)37-14-9-8-13-32)28(34)31-17-19-16-23(35-5-2)26(36-6-3)25(29)24(19)27(31)30;/h11-12,15-16,20,30,32-33H,4-10,13-14,17H2,1-3H3;1H