1HW

1-{(3S,3aS)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-8-methoxy-3,3a,4,5-tetrahydro-2H-benzo[g]indazol-2-yl}-2-hydroxyethanone


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Chemical Component Summary

Name1-{(3S,3aS)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-8-methoxy-3,3a,4,5-tetrahydro-2H-benzo[g]indazol-2-yl}-2-hydroxyethanone
Identifiers1-[(3S,3aS)-3-[3-fluoranyl-4-(trifluoromethyloxy)phenyl]-8-methoxy-3,3a,4,5-tetrahydrobenzo[g]indazol-2-yl]-2-oxidanyl-ethanone
FormulaC21 H18 F4 N2 O4
Molecular Weight438.372
TypeNON-POLYMER
Isomeric SMILESCOc1ccc2c(c1)C3=NN([C@@H]([C@@H]3CC2)c4ccc(c(c4)F)OC(F)(F)F)C(=O)CO
InChIInChI=1S/C21H18F4N2O4/c1-30-13-5-2-11-3-6-14-19(15(11)9-13)26-27(18(29)10-28)20(14)12-4-7-17(16(22)8-12)31-21(23,24)25/h2,4-5,7-9,14,20,28H,3,6,10H2,1H3/t14-,20-/m1/s1
InChIKeyRPGVJSZQQKMKSB-JLTOFOAXSA-N

Chemical Details

Formal Charge0
Atom Count49
Chiral Atom Count2
Bond Count52
Aromatic Bond Count12

Related Resource References

Resource NameReference
PubChem 78225511