1-(3-azanylidene-5,6-diethoxy-4-fluoranyl-1H-isoindol-2-yl)-2-[3-tert-butyl-5-(4-ethanoylpiperazin-1-yl)-4-methoxy-phenyl]ethanone hydrobromide

Systemtic Name: 1-(3-azanylidene-5,6-diethoxy-4-fluoranyl-1H-isoindol-2-yl)-2-[3-tert-butyl-5-(4-ethanoylpiperazin-1-yl)-4-methoxy-phenyl]ethanone hydrobromide Openeye Name: 2-[3-(4-acetylpiperazin-1-yl)-5-tert-butyl-4-methoxy-phenyl]-1-(5,6-diethoxy-7-fluoro-1-imino-isoindolin-2-yl)ethanone hydrobromide CAS Name: 2-[3-(4-acetyl-1-piperazinyl)-5-tert-butyl-4-methoxyphenyl]-1-(5,6-diethoxy-4-fluoro-3-imino-1H-isoindol-2-yl)ethanone hydrobromide IUPAC Name: 2-[3-(4-acetylpiperazin-1-yl)-5-tert-butyl-4-methoxyphenyl]-1-(5,6-diethoxy-4-fluoro-3-imino-1H-isoindol-2-yl)ethanone hydrobromide Traditional Name: 2-[3-(4-acetylpiperazino)-5-tert-butyl-4-methoxy-phenyl]-1-(5,6-diethoxy-7-fluoro-1-imino-isoindolin-2-yl)ethanone hydrobromide Formula: C31H42BrFN4O5 MolecularWeight: 649.591383

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=C2C(=C1)CN(C2=N)C(=O)CC3=CC(=C(C(=C3)N4CCN(CC4)C(=O)C)OC)C(C)(C)C)F)OCC.Br

Isomeric SMILES

CCOC1=C(C(=C2C(=C1)CN(C2=N)C(=O)CC3=CC(=C(C(=C3)N4CCN(CC4)C(=O)C)OC)C(C)(C)C)F)OCC.Br

InChI

InChI=1S/C31H41FN4O5.BrH/c1-8-40-24-17-21-18-36(30(33)26(21)27(32)29(24)41-9-2)25(38)16-20-14-22(31(4,5)6)28(39-7)23(15-20)35-12-10-34(11-13-35)19(3)37;/h14-15,17,33H,8-13,16,18H2,1-7H3;1H