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

Systemtic Name: 1-(3-azanylidene-5,6-diethoxy-4-fluoranyl-1H-isoindol-2-yl)-2-[4-methoxy-3-(1-methoxypropan-2-ylamino)phenyl]hexan-1-one hydrobromide Openeye Name: 1-(5,6-diethoxy-7-fluoro-1-imino-isoindolin-2-yl)-2-[4-methoxy-3-[(2-methoxy-1-methyl-ethyl)amino]phenyl]hexan-1-one hydrobromide CAS Name: 1-(5,6-diethoxy-4-fluoro-3-imino-1H-isoindol-2-yl)-2-[4-methoxy-3-(1-methoxypropan-2-ylamino)phenyl]-1-hexanone hydrobromide IUPAC Name: 1-(5,6-diethoxy-4-fluoro-3-imino-1H-isoindol-2-yl)-2-[4-methoxy-3-(1-methoxypropan-2-ylamino)phenyl]hexan-1-one hydrobromide Traditional Name: 1-(5,6-diethoxy-7-fluoro-1-imino-isoindolin-2-yl)-2-[4-methoxy-3-[(2-methoxy-1-methyl-ethyl)amino]phenyl]hexan-1-one hydrobromide Formula: C29H41BrFN3O5 MolecularWeight: 610.555343

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H40FN3O5.BrH/c1-7-10-11-21(19-12-13-23(36-6)22(14-19)32-18(4)17-35-5)29(34)33-16-20-15-24(37-8-2)27(38-9-3)26(30)25(20)28(33)31;/h12-15,18,21,31-32H,7-11,16-17H2,1-6H3;1H