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

Systemtic Name: 1-(3-azanylidene-4-fluoranyl-5,6-dimethoxy-1H-isoindol-2-yl)-2-[4-methoxy-3-(4-methoxypiperidin-1-yl)phenyl]hexan-1-one hydrobromide Openeye Name: 1-(7-fluoro-1-imino-5,6-dimethoxy-isoindolin-2-yl)-2-[4-methoxy-3-(4-methoxy-1-piperidyl)phenyl]hexan-1-one hydrobromide CAS Name: 1-(4-fluoro-3-imino-5,6-dimethoxy-1H-isoindol-2-yl)-2-[4-methoxy-3-(4-methoxy-1-piperidinyl)phenyl]-1-hexanone hydrobromide IUPAC Name: 1-(4-fluoro-3-imino-5,6-dimethoxy-1H-isoindol-2-yl)-2-[4-methoxy-3-(4-methoxypiperidin-1-yl)phenyl]hexan-1-one hydrobromide Traditional Name: 1-(7-fluoro-1-imino-5,6-dimethoxy-isoindolin-2-yl)-2-[4-methoxy-3-(4-methoxypiperidino)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(CC2)OC)C(=O)N3CC4=CC(=C(C(=C4C3=N)F)OC)OC.Br

Isomeric SMILES

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

InChI

InChI=1S/C29H38FN3O5.BrH/c1-6-7-8-21(18-9-10-23(36-3)22(15-18)32-13-11-20(35-2)12-14-32)29(34)33-17-19-16-24(37-4)27(38-5)26(30)25(19)28(33)31;/h9-10,15-16,20-21,31H,6-8,11-14,17H2,1-5H3;1H