1-(3-azanylidene-5,6-diethoxy-4-fluoranyl-1H-isoindol-2-yl)-2-(4-methoxyphenyl)hexan-1-one hydrobromide

Systemtic Name: 1-(3-azanylidene-5,6-diethoxy-4-fluoranyl-1H-isoindol-2-yl)-2-(4-methoxyphenyl)hexan-1-one hydrobromide Openeye Name: 1-(5,6-diethoxy-7-fluoro-1-imino-isoindolin-2-yl)-2-(4-methoxyphenyl)hexan-1-one hydrobromide CAS Name: 1-(5,6-diethoxy-4-fluoro-3-imino-1H-isoindol-2-yl)-2-(4-methoxyphenyl)-1-hexanone hydrobromide IUPAC Name: 1-(5,6-diethoxy-4-fluoro-3-imino-1H-isoindol-2-yl)-2-(4-methoxyphenyl)hexan-1-one hydrobromide Traditional Name: 1-(5,6-diethoxy-7-fluoro-1-imino-isoindolin-2-yl)-2-(4-methoxyphenyl)hexan-1-one hydrobromide Formula: C25H32BrFN2O4 MolecularWeight: 523.434983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31FN2O4.BrH/c1-5-8-9-19(16-10-12-18(30-4)13-11-16)25(29)28-15-17-14-20(31-6-2)23(32-7-3)22(26)21(17)24(28)27;/h10-14,19,27H,5-9,15H2,1-4H3;1H