Specification
Synonyms
2-(4-(5,5-difluoro-7-(thiophen-2-yl)-5H-5l4,6l4-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-3-yl)phenoxy)-N-(prop-2-yn-1-yl)acetamide
IUPAC Name
2-[4-(2,2-difluoro-12-thiophen-2-yl-1-aza-3-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-3,5,7,9,11-pentaen-4-yl)phenoxy]-N-prop-2-ynylacetamide
Canonical SMILES
[B-]1(N2C(=CC=C2C3=CC=CS3)C=C4[N+]1=C(C=C4)C5=CC=C(C=C5)OCC(=O)NCC#C)(F)F
InChI
InChI=1S/C24H18BF2N3O2S/c1-2-13-28-24(31)16-32-20-9-5-17(6-10-20)21-11-7-18-15-19-8-12-22(23-4-3-14-33-23)30(19)25(26,27)29(18)21/h1,3-12,14-15H,13,16H2,(H,28,31)
InChI Key
NRAIVGWGVIETRD-UHFFFAOYSA-N
Storage
-20 °C in the dark