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YCV

Summary
Name:2-[4-(1~{H}-indazol-4-yl)-2-methanoyl-6-methoxy-phenoxy]-~{N},~{N}-dimethyl-ethanamide
Formula:C19 H19 N3 O4
Formal charge:0
Formula weight:353.372 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.72-[4-(1~{H}-indazol-4-yl)-2-methanoyl-6-methoxy-phenoxy]-~{N},~{N}-dimethyl-ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C19H19N3O4/c1-22(2)18(24)11-26-19-13(10-23)7-12(8-17(19)25-3)14-5-4-6-16-15(14)9-20-21-16/h4-10H,11H2,1-3H3,(H,20,21)
InChIKeyInChI1.03LDHIKLLVVUEYPE-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1cc(cc(C=O)c1OCC(=O)N(C)C)c2cccc3[nH]ncc23
SMILESCACTVS3.385COc1cc(cc(C=O)c1OCC(=O)N(C)C)c2cccc3[nH]ncc23
SMILES_CANONICALOpenEye OEToolkits2.0.7CN(C)C(=O)COc1c(cc(cc1OC)c2cccc3c2cn[nH]3)C=O
SMILESOpenEye OEToolkits2.0.7CN(C)C(=O)COc1c(cc(cc1OC)c2cccc3c2cn[nH]3)C=O

218853

PDB entries from 2024-04-24

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