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

Isomeric SMILES

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

InChI

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