1-(3-azanylidene-4-fluoranyl-5,6-dimethoxy-1H-isoindol-2-yl)-2-[4-methoxy-3-(4-oxidanylpiperidin-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-oxidanylpiperidin-1-yl)phenyl]hexan-1-one hydrobromide Openeye Name: 1-(7-fluoro-1-imino-5,6-dimethoxy-isoindolin-2-yl)-2-[3-(4-hydroxy-1-piperidyl)-4-methoxy-phenyl]hexan-1-one hydrobromide CAS Name: 1-(4-fluoro-3-imino-5,6-dimethoxy-1H-isoindol-2-yl)-2-[3-(4-hydroxy-1-piperidinyl)-4-methoxyphenyl]-1-hexanone hydrobromide IUPAC Name: 1-(4-fluoro-3-imino-5,6-dimethoxy-1H-isoindol-2-yl)-2-[3-(4-hydroxypiperidin-1-yl)-4-methoxyphenyl]hexan-1-one hydrobromide Traditional Name: 1-(7-fluoro-1-imino-5,6-dimethoxy-isoindolin-2-yl)-2-[3-(4-hydroxypiperidino)-4-methoxy-phenyl]hexan-1-one hydrobromide Formula: C28H37BrFN3O5 MolecularWeight: 594.512883

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H36FN3O5.BrH/c1-5-6-7-20(17-8-9-22(35-2)21(14-17)31-12-10-19(33)11-13-31)28(34)32-16-18-15-23(36-3)26(37-4)25(29)24(18)27(32)30;/h8-9,14-15,19-20,30,33H,5-7,10-13,16H2,1-4H3;1H