CHEBI:105746 - 3-[5-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-furanyl]benzoic acid methyl ester

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ChEBI Name 3-[5-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-furanyl]benzoic acid methyl ester
ChEBI ID CHEBI:105746
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C21H20N4O5
Net Charge 0
Average Mass 408.408
Monoisotopic Mass 408.14337
InChI InChI=1S/C21H20N4O5/c1-10-16(19(26)24-22-10)18(17-11(2)23-25-20(17)27)15-8-7-14(30-15)12-5-4-6-13(9-12)21(28)29-3/h4-9,18H,1-3H3,(H2,22,24,26)(H2,23,25,27)
InChIKey XHCYOXYTVCQWBK-UHFFFAOYSA-N
SMILES CC1=C(C(=O)NN1)C(C2=CC=C(O2)C3=CC(=CC=C3)C(=O)OC)C4=C(NNC4=O)C
ChEBI Ontology
Outgoing 3-[5-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-furanyl]benzoic acid methyl ester (CHEBI:105746) is a benzoate ester (CHEBI:36054)
Manual Xref Database
LSM-17108 LINCS
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