4-[5-[2-(3-azanylidene-4-fluoranyl-5,6-dimethoxy-1H-isoindol-2-yl)ethanoyl]-3-tert-butyl-2-methoxy-phenoxy]butanenitrile hydrobromide

Systemtic Name: 4-[5-[2-(3-azanylidene-4-fluoranyl-5,6-dimethoxy-1H-isoindol-2-yl)ethanoyl]-3-tert-butyl-2-methoxy-phenoxy]butanenitrile hydrobromide Openeye Name: 4-[3-tert-butyl-5-[2-(7-fluoro-1-imino-5,6-dimethoxy-isoindolin-2-yl)acetyl]-2-methoxy-phenoxy]butanenitrile hydrobromide CAS Name: 4-[3-tert-butyl-5-[2-(4-fluoro-3-imino-5,6-dimethoxy-1H-isoindol-2-yl)-1-oxoethyl]-2-methoxyphenoxy]butanenitrile hydrobromide IUPAC Name: 4-[3-tert-butyl-5-[2-(4-fluoro-3-imino-5,6-dimethoxy-1H-isoindol-2-yl)acetyl]-2-methoxyphenoxy]butanenitrile hydrobromide Traditional Name: 4-[3-tert-butyl-5-[2-(7-fluoro-1-imino-5,6-dimethoxy-isoindolin-2-yl)acetyl]-2-methoxy-phenoxy]butyronitrile hydrobromide Formula: C27H33BrFN3O5 MolecularWeight: 578.470423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=CC(=C1)C(=O)CN2CC3=CC(=C(C(=C3C2=N)F)OC)OC)OCCCC#N)OC.Br

Isomeric SMILES

CC(C)(C)C1=C(C(=CC(=C1)C(=O)CN2CC3=CC(=C(C(=C3C2=N)F)OC)OC)OCCCC#N)OC.Br

InChI

InChI=1S/C27H32FN3O5.BrH/c1-27(2,3)18-11-16(12-21(24(18)34-5)36-10-8-7-9-29)19(32)15-31-14-17-13-20(33-4)25(35-6)23(28)22(17)26(31)30;/h11-13,30H,7-8,10,14-15H2,1-6H3;1H