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

Systemtic Name: 1-(3-azanylidene-5,6-diethoxy-4-fluoranyl-1H-isoindol-2-yl)-2-[4-methoxy-3-(2-methoxyethylamino)phenyl]hexan-1-one hydrobromide Openeye Name: 1-(5,6-diethoxy-7-fluoro-1-imino-isoindolin-2-yl)-2-[4-methoxy-3-(2-methoxyethylamino)phenyl]hexan-1-one hydrobromide CAS Name: 1-(5,6-diethoxy-4-fluoro-3-imino-1H-isoindol-2-yl)-2-[4-methoxy-3-(2-methoxyethylamino)phenyl]-1-hexanone hydrobromide IUPAC Name: 1-(5,6-diethoxy-4-fluoro-3-imino-1H-isoindol-2-yl)-2-[4-methoxy-3-(2-methoxyethylamino)phenyl]hexan-1-one hydrobromide Traditional Name: 1-(5,6-diethoxy-7-fluoro-1-imino-isoindolin-2-yl)-2-[4-methoxy-3-(2-methoxyethylamino)phenyl]hexan-1-one hydrobromide Formula: C28H39BrFN3O5 MolecularWeight: 596.528763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CC(=C(C=C1)OC)NCCOC)C(=O)N2CC3=CC(=C(C(=C3C2=N)F)OCC)OCC.Br

Isomeric SMILES

CCCCC(C1=CC(=C(C=C1)OC)NCCOC)C(=O)N2CC3=CC(=C(C(=C3C2=N)F)OCC)OCC.Br

InChI

InChI=1S/C28H38FN3O5.BrH/c1-6-9-10-20(18-11-12-22(35-5)21(15-18)31-13-14-34-4)28(33)32-17-19-16-23(36-7-2)26(37-8-3)25(29)24(19)27(32)30;/h11-12,15-16,20,30-31H,6-10,13-14,17H2,1-5H3;1H