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CHEBI:116740 - N-[1-[(4-chlorophenyl)methyl]-5-methyl-3-pyrazolyl]-5-(3,4-dimethoxyphenyl)-3-isoxazolecarboxamide

Default Structure
ChEBI IDCHEBI:116740
ChEBI NameN-[1-[(4-chlorophenyl)methyl]-5-methyl-3-pyrazolyl]-5-(3,4-dimethoxyphenyl)-3-isoxazolecarboxamide
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DownloadsMolfile
FormulaC23H21ClN4O4
Net Charge0
Average Mass452.898
Monoisotopic Mass452.12513
SMILESCOc1ccc(-c2cc(C(=O)Nc3cc(C)n(Cc4ccc(Cl)cc4)n3)no2)cc1OC
InChIInChI=1S/C23H21ClN4O4/c1-14-10-22(26-28(14)13-15-4-7-17(24)8-5-15)25-23(29)18-12-20(32-27-18)16-6-9-19(30-2)21(11-16)31-3/h4-12H,13H2,1-3H3,(H,25,26,29)
InChIKeyAAXMQQXWRPGRCS-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[1-[(4-chlorophenyl)methyl]-5-methyl-3-pyrazolyl]-5-(3,4-dimethoxyphenyl)-3-isoxazolecarboxamide (CHEBI:116740) is a dimethoxybenzene (CHEBI:51681)
Manual XrefsDatabases
LSM-28192LINCS