1-(3-azanylidene-5,6-diethoxy-4-fluoranyl-1H-isoindol-2-yl)-2-[4-methoxy-3-(3-methoxy-4-oxidanyl-pyrrolidin-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-methoxy-4-oxidanyl-pyrrolidin-1-yl)phenyl]hexan-1-one hydrobromide Openeye Name: 1-(5,6-diethoxy-7-fluoro-1-imino-isoindolin-2-yl)-2-[3-(3-hydroxy-4-methoxy-pyrrolidin-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-4-methoxy-1-pyrrolidinyl)-4-methoxyphenyl]-1-hexanone hydrobromide IUPAC Name: 1-(5,6-diethoxy-4-fluoro-3-imino-1H-isoindol-2-yl)-2-[3-(3-hydroxy-4-methoxypyrrolidin-1-yl)-4-methoxyphenyl]hexan-1-one hydrobromide Traditional Name: 1-(5,6-diethoxy-7-fluoro-1-imino-isoindolin-2-yl)-2-[3-(3-hydroxy-4-methoxy-pyrrolidino)-4-methoxy-phenyl]hexan-1-one hydrobromide Formula: C30H41BrFN3O6 MolecularWeight: 638.565443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CC(=C(C=C1)OC)N2CC(C(C2)OC)O)C(=O)N3CC4=CC(=C(C(=C4C3=N)F)OCC)OCC.Br

Isomeric SMILES

CCCCC(C1=CC(=C(C=C1)OC)N2CC(C(C2)OC)O)C(=O)N3CC4=CC(=C(C(=C4C3=N)F)OCC)OCC.Br

InChI

InChI=1S/C30H40FN3O6.BrH/c1-6-9-10-20(18-11-12-23(37-4)21(13-18)33-16-22(35)25(17-33)38-5)30(36)34-15-19-14-24(39-7-2)28(40-8-3)27(31)26(19)29(34)32;/h11-14,20,22,25,32,35H,6-10,15-17H2,1-5H3;1H