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

Systemtic Name: 1-(3-azanylidene-5,6-diethoxy-4-fluoranyl-1H-isoindol-2-yl)-2-[4-methoxy-3-(3-oxidanylpropylamino)phenyl]hexan-1-one hydrobromide Openeye Name: 1-(5,6-diethoxy-7-fluoro-1-imino-isoindolin-2-yl)-2-[3-(3-hydroxypropylamino)-4-methoxy-phenyl]hexan-1-one hydrobromide CAS Name: 1-(5,6-diethoxy-4-fluoro-3-imino-1H-isoindol-2-yl)-2-[3-(3-hydroxypropylamino)-4-methoxyphenyl]-1-hexanone hydrobromide IUPAC Name: 1-(5,6-diethoxy-4-fluoro-3-imino-1H-isoindol-2-yl)-2-[3-(3-hydroxypropylamino)-4-methoxyphenyl]hexan-1-one hydrobromide Traditional Name: 1-(5,6-diethoxy-7-fluoro-1-imino-isoindolin-2-yl)-2-[3-(3-hydroxypropylamino)-4-methoxy-phenyl]hexan-1-one hydrobromide Formula: C28H39BrFN3O5 MolecularWeight: 596.528763

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H38FN3O5.BrH/c1-5-8-10-20(18-11-12-22(35-4)21(15-18)31-13-9-14-33)28(34)32-17-19-16-23(36-6-2)26(37-7-3)25(29)24(19)27(32)30;/h11-12,15-16,20,30-31,33H,5-10,13-14,17H2,1-4H3;1H