1-(3-azanylidene-5,6-diethoxy-4-fluoranyl-1H-isoindol-2-yl)-2-[4-methoxy-3-(2-morpholin-4-yl-2-oxidanylidene-ethoxy)phenyl]hexan-1-one

Systemtic Name: 1-(3-azanylidene-5,6-diethoxy-4-fluoranyl-1H-isoindol-2-yl)-2-[4-methoxy-3-(2-morpholin-4-yl-2-oxidanylidene-ethoxy)phenyl]hexan-1-one Openeye Name: 1-(5,6-diethoxy-7-fluoro-1-imino-isoindolin-2-yl)-2-[4-methoxy-3-(2-morpholino-2-oxo-ethoxy)phenyl]hexan-1-one CAS Name: 1-(5,6-diethoxy-4-fluoro-3-imino-1H-isoindol-2-yl)-2-[4-methoxy-3-[2-(4-morpholinyl)-2-oxoethoxy]phenyl]-1-hexanone IUPAC Name: 1-(5,6-diethoxy-4-fluoro-3-imino-1H-isoindol-2-yl)-2-[4-methoxy-3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]hexan-1-one Traditional Name: 1-(5,6-diethoxy-7-fluoro-1-imino-isoindolin-2-yl)-2-[3-(2-keto-2-morpholino-ethoxy)-4-methoxy-phenyl]hexan-1-one Formula: C31H40FN3O7 MolecularWeight: 585.663603

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CC(=C(C=C1)OC)OCC(=O)N2CCOCC2)C(=O)N3CC4=CC(=C(C(=C4C3=N)F)OCC)OCC

Isomeric SMILES

CCCCC(C1=CC(=C(C=C1)OC)OCC(=O)N2CCOCC2)C(=O)N3CC4=CC(=C(C(=C4C3=N)F)OCC)OCC

InChI

InChI=1S/C31H40FN3O7/c1-5-8-9-22(20-10-11-23(38-4)24(16-20)42-19-26(36)34-12-14-39-15-13-34)31(37)35-18-21-17-25(40-6-2)29(41-7-3)28(32)27(21)30(35)33/h10-11,16-17,22,33H,5-9,12-15,18-19H2,1-4H3