Name | BAY-598 R-isomer |
Iupac Chemical Name | (R,E)-N-(1-(N'-cyano-N-(3-(difluoromethoxy)phenyl)carbamimidoyl)-3-(3,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-4-yl)-N-ethyl-2-hydroxyacetamide |
Synonyms | BAY-598 R-isomer; BAY 598 R-isomer; BAY598 R-isomer |
Molecular Formula | C22H20Cl2F2N6O3 |
Molecular Weight | 525.3378 |
Smile | C(#N)\N=C(/NC1=CC(=CC=C1)OC(F)F)\N1N=C([C@@H](C1)N(C(CO)=O)CC)C1=CC(=C(C=C1)Cl)Cl |
InChiKey | OTTJIRVZJJGFTK-GOSISDBHSA-N |
InChi | InChI=1S/C22H20Cl2F2N6O3/c1-2-31(19(34)11-33)18-10-32(30-20(18)13-6-7-16(23)17(24)8-13)22(28-12-27)29-14-4-3-5-15(9-14)35-21(25)26/h3-9,18,21,33H,2,10-11H2,1H3,(H,28,29)/t18-/m1/s1 |
CAS Number | 1906920-28-2 |
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