1-(3-azanylidene-5,6-diethoxy-4-fluoranyl-1H-isoindol-2-yl)-2-[4-methoxy-3-(2-morpholin-4-ylethylamino)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-ylethylamino)phenyl]hexan-1-one Openeye Name: 1-(5,6-diethoxy-7-fluoro-1-imino-isoindolin-2-yl)-2-[4-methoxy-3-(2-morpholinoethylamino)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)ethylamino]phenyl]-1-hexanone IUPAC Name: 1-(5,6-diethoxy-4-fluoro-3-imino-1H-isoindol-2-yl)-2-[4-methoxy-3-(2-morpholin-4-ylethylamino)phenyl]hexan-1-one Traditional Name: 1-(5,6-diethoxy-7-fluoro-1-imino-isoindolin-2-yl)-2-[4-methoxy-3-(2-morpholinoethylamino)phenyl]hexan-1-one Formula: C31H43FN4O5 MolecularWeight: 570.695323

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CC(=C(C=C1)OC)NCCN2CCOCC2)C(=O)N3CC4=CC(=C(C(=C4C3=N)F)OCC)OCC

Isomeric SMILES

CCCCC(C1=CC(=C(C=C1)OC)NCCN2CCOCC2)C(=O)N3CC4=CC(=C(C(=C4C3=N)F)OCC)OCC

InChI

InChI=1S/C31H43FN4O5/c1-5-8-9-23(21-10-11-25(38-4)24(18-21)34-12-13-35-14-16-39-17-15-35)31(37)36-20-22-19-26(40-6-2)29(41-7-3)28(32)27(22)30(36)33/h10-11,18-19,23,33-34H,5-9,12-17,20H2,1-4H3