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

Systemtic Name: 1-(3-azanylidene-5,6-diethoxy-4-fluoranyl-1H-isoindol-2-yl)-2-[4-methoxy-3-(4-methyl-4-oxidanyl-piperidin-1-yl)phenyl]hexan-1-one hydrobromide Openeye Name: 1-(5,6-diethoxy-7-fluoro-1-imino-isoindolin-2-yl)-2-[3-(4-hydroxy-4-methyl-1-piperidyl)-4-methoxy-phenyl]hexan-1-one hydrobromide CAS Name: 1-(5,6-diethoxy-4-fluoro-3-imino-1H-isoindol-2-yl)-2-[3-(4-hydroxy-4-methyl-1-piperidinyl)-4-methoxyphenyl]-1-hexanone hydrobromide IUPAC Name: 1-(5,6-diethoxy-4-fluoro-3-imino-1H-isoindol-2-yl)-2-[3-(4-hydroxy-4-methylpiperidin-1-yl)-4-methoxyphenyl]hexan-1-one hydrobromide Traditional Name: 1-(5,6-diethoxy-7-fluoro-1-imino-isoindolin-2-yl)-2-[3-(4-hydroxy-4-methyl-piperidino)-4-methoxy-phenyl]hexan-1-one hydrobromide Formula: C31H43BrFN3O5 MolecularWeight: 636.592623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H42FN3O5.BrH/c1-6-9-10-22(20-11-12-24(38-5)23(17-20)34-15-13-31(4,37)14-16-34)30(36)35-19-21-18-25(39-7-2)28(40-8-3)27(32)26(21)29(35)33;/h11-12,17-18,22,33,37H,6-10,13-16,19H2,1-5H3;1H