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

Systemtic Name: 1-(3-azanylidene-4-fluoranyl-5,6-dimethoxy-1H-isoindol-2-yl)-2-[3-(2-hydroxyethylamino)-4-methoxy-phenyl]hexan-1-one hydrobromide Openeye Name: 1-(7-fluoro-1-imino-5,6-dimethoxy-isoindolin-2-yl)-2-[3-(2-hydroxyethylamino)-4-methoxy-phenyl]hexan-1-one hydrobromide CAS Name: 1-(4-fluoro-3-imino-5,6-dimethoxy-1H-isoindol-2-yl)-2-[3-(2-hydroxyethylamino)-4-methoxyphenyl]-1-hexanone hydrobromide IUPAC Name: 1-(4-fluoro-3-imino-5,6-dimethoxy-1H-isoindol-2-yl)-2-[3-(2-hydroxyethylamino)-4-methoxyphenyl]hexan-1-one hydrobromide Traditional Name: 1-(7-fluoro-1-imino-5,6-dimethoxy-isoindolin-2-yl)-2-[3-(2-hydroxyethylamino)-4-methoxy-phenyl]hexan-1-one hydrobromide Formula: C25H33BrFN3O5 MolecularWeight: 554.449023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32FN3O5.BrH/c1-5-6-7-17(15-8-9-19(32-2)18(12-15)28-10-11-30)25(31)29-14-16-13-20(33-3)23(34-4)22(26)21(16)24(29)27;/h8-9,12-13,17,27-28,30H,5-7,10-11,14H2,1-4H3;1H