CHEBI:107687 - 1,3-diphenyl-4-pyrazolecarboxylic acid [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] ester

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ChEBI Name 1,3-diphenyl-4-pyrazolecarboxylic acid [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] ester
ChEBI ID CHEBI:107687
Stars This entity has been manually annotated by a third party.
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Formula C23H16Cl2N4O3
Net Charge 0
Average Mass 467.305
Monoisotopic Mass 466.05995
InChI InChI=1S/C23H16Cl2N4O3/c24-16-11-19(25)22(26-12-16)27-20(30)14-32-23(31)18-13-29(17-9-5-2-6-10-17)28-21(18)15-7-3-1-4-8-15/h1-13H,14H2,(H,26,27,30)
InChIKey PUMPJEZXXDPVJK-UHFFFAOYSA-N
SMILES C1=CC=C(C=C1)C2=NN(C=C2C(=O)OCC(=O)NC3=C(C=C(C=N3)Cl)Cl)C4=CC=CC=C4
ChEBI Ontology
Outgoing 1,3-diphenyl-4-pyrazolecarboxylic acid [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] ester (CHEBI:107687) is a pyrazoles (CHEBI:26410)
1,3-diphenyl-4-pyrazolecarboxylic acid [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] ester (CHEBI:107687) is a ring assembly (CHEBI:36820)
Manual Xref Database
LSM-19066 LINCS
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