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

Systemtic Name: 1-(3-azanylidene-5,6-diethoxy-4-fluoranyl-1H-isoindol-2-yl)-2-[4-methoxy-3-(oxan-4-ylamino)phenyl]hexan-1-one hydrobromide Openeye Name: 1-(5,6-diethoxy-7-fluoro-1-imino-isoindolin-2-yl)-2-[4-methoxy-3-(tetrahydropyran-4-ylamino)phenyl]hexan-1-one hydrobromide CAS Name: 1-(5,6-diethoxy-4-fluoro-3-imino-1H-isoindol-2-yl)-2-[4-methoxy-3-(4-oxanylamino)phenyl]-1-hexanone hydrobromide IUPAC Name: 1-(5,6-diethoxy-4-fluoro-3-imino-1H-isoindol-2-yl)-2-[4-methoxy-3-(oxan-4-ylamino)phenyl]hexan-1-one hydrobromide Traditional Name: 1-(5,6-diethoxy-7-fluoro-1-imino-isoindolin-2-yl)-2-[4-methoxy-3-(tetrahydropyran-4-ylamino)phenyl]hexan-1-one hydrobromide Formula: C30H41BrFN3O5 MolecularWeight: 622.566043

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CC(=C(C=C1)OC)NC2CCOCC2)C(=O)N3CC4=CC(=C(C(=C4C3=N)F)OCC)OCC.Br

Isomeric SMILES

CCCCC(C1=CC(=C(C=C1)OC)NC2CCOCC2)C(=O)N3CC4=CC(=C(C(=C4C3=N)F)OCC)OCC.Br

InChI

InChI=1S/C30H40FN3O5.BrH/c1-5-8-9-22(19-10-11-24(36-4)23(16-19)33-21-12-14-37-15-13-21)30(35)34-18-20-17-25(38-6-2)28(39-7-3)27(31)26(20)29(34)32;/h10-11,16-17,21-22,32-33H,5-9,12-15,18H2,1-4H3;1H