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

Systemtic Name: 1-(3-azanylidene-5,6-diethoxy-4-fluoranyl-1H-isoindol-2-yl)-2-[4-methoxy-3-(3-oxidanylpyrrolidin-1-yl)phenyl]hexan-1-one hydrobromide Openeye Name: 1-(5,6-diethoxy-7-fluoro-1-imino-isoindolin-2-yl)-2-[3-(3-hydroxypyrrolidin-1-yl)-4-methoxy-phenyl]hexan-1-one hydrobromide CAS Name: 1-(5,6-diethoxy-4-fluoro-3-imino-1H-isoindol-2-yl)-2-[3-(3-hydroxy-1-pyrrolidinyl)-4-methoxyphenyl]-1-hexanone hydrobromide IUPAC Name: 1-(5,6-diethoxy-4-fluoro-3-imino-1H-isoindol-2-yl)-2-[3-(3-hydroxypyrrolidin-1-yl)-4-methoxyphenyl]hexan-1-one hydrobromide Traditional Name: 1-(5,6-diethoxy-7-fluoro-1-imino-isoindolin-2-yl)-2-[3-(3-hydroxypyrrolidino)-4-methoxy-phenyl]hexan-1-one hydrobromide Formula: C29H39BrFN3O5 MolecularWeight: 608.539463

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CC(=C(C=C1)OC)N2CCC(C2)O)C(=O)N3CC4=CC(=C(C(=C4C3=N)F)OCC)OCC.Br

Isomeric SMILES

CCCCC(C1=CC(=C(C=C1)OC)N2CCC(C2)O)C(=O)N3CC4=CC(=C(C(=C4C3=N)F)OCC)OCC.Br

InChI

InChI=1S/C29H38FN3O5.BrH/c1-5-8-9-21(18-10-11-23(36-4)22(14-18)32-13-12-20(34)17-32)29(35)33-16-19-15-24(37-6-2)27(38-7-3)26(30)25(19)28(33)31;/h10-11,14-15,20-21,31,34H,5-9,12-13,16-17H2,1-4H3;1H