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

Systemtic Name: 1-(3-azanylidene-4-fluoranyl-5,6-dimethoxy-1H-isoindol-2-yl)-2-[3-(4-ethoxypiperidin-1-yl)-4-methoxy-phenyl]hexan-1-one hydrobromide Openeye Name: 2-[3-(4-ethoxy-1-piperidyl)-4-methoxy-phenyl]-1-(7-fluoro-1-imino-5,6-dimethoxy-isoindolin-2-yl)hexan-1-one hydrobromide CAS Name: 2-[3-(4-ethoxy-1-piperidinyl)-4-methoxyphenyl]-1-(4-fluoro-3-imino-5,6-dimethoxy-1H-isoindol-2-yl)-1-hexanone hydrobromide IUPAC Name: 2-[3-(4-ethoxypiperidin-1-yl)-4-methoxyphenyl]-1-(4-fluoro-3-imino-5,6-dimethoxy-1H-isoindol-2-yl)hexan-1-one hydrobromide Traditional Name: 2-[3-(4-ethoxypiperidino)-4-methoxy-phenyl]-1-(7-fluoro-1-imino-5,6-dimethoxy-isoindolin-2-yl)hexan-1-one hydrobromide Formula: C30H41BrFN3O5 MolecularWeight: 622.566043

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CC(=C(C=C1)OC)N2CCC(CC2)OCC)C(=O)N3CC4=CC(=C(C(=C4C3=N)F)OC)OC.Br

Isomeric SMILES

CCCCC(C1=CC(=C(C=C1)OC)N2CCC(CC2)OCC)C(=O)N3CC4=CC(=C(C(=C4C3=N)F)OC)OC.Br

InChI

InChI=1S/C30H40FN3O5.BrH/c1-6-8-9-22(19-10-11-24(36-3)23(16-19)33-14-12-21(13-15-33)39-7-2)30(35)34-18-20-17-25(37-4)28(38-5)27(31)26(20)29(34)32;/h10-11,16-17,21-22,32H,6-9,12-15,18H2,1-5H3;1H