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

Systemtic Name: 1-(3-azanylidene-4-fluoranyl-5,6-dimethoxy-1H-isoindol-2-yl)-2-[4-oxidanyl-3-(4-oxidanylbutoxy)phenyl]hexan-1-one hydrobromide Openeye Name: 1-(7-fluoro-1-imino-5,6-dimethoxy-isoindolin-2-yl)-2-[4-hydroxy-3-(4-hydroxybutoxy)phenyl]hexan-1-one hydrobromide CAS Name: 1-(4-fluoro-3-imino-5,6-dimethoxy-1H-isoindol-2-yl)-2-[4-hydroxy-3-(4-hydroxybutoxy)phenyl]-1-hexanone hydrobromide IUPAC Name: 1-(4-fluoro-3-imino-5,6-dimethoxy-1H-isoindol-2-yl)-2-[4-hydroxy-3-(4-hydroxybutoxy)phenyl]hexan-1-one hydrobromide Traditional Name: 1-(7-fluoro-1-imino-5,6-dimethoxy-isoindolin-2-yl)-2-[4-hydroxy-3-(4-hydroxybutoxy)phenyl]hexan-1-one hydrobromide Formula: C26H34BrFN2O6 MolecularWeight: 569.460363

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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)OC)OC.Br

Isomeric SMILES

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

InChI

InChI=1S/C26H33FN2O6.BrH/c1-4-5-8-18(16-9-10-19(31)20(13-16)35-12-7-6-11-30)26(32)29-15-17-14-21(33-2)24(34-3)23(27)22(17)25(29)28;/h9-10,13-14,18,28,30-31H,4-8,11-12,15H2,1-3H3;1H