5-[[1-[(2-chloranyl-4-fluoranyl-phenyl)methyl]pyrazol-4-yl]carbamoyl]-1-methyl-pyrazole-4-carboxylic acid

Systemtic Name: 5-[[1-[(2-chloranyl-4-fluoranyl-phenyl)methyl]pyrazol-4-yl]carbamoyl]-1-methyl-pyrazole-4-carboxylic acid Openeye Name: 5-[[1-[(2-chloro-4-fluoro-phenyl)methyl]pyrazol-4-yl]carbamoyl]-1-methyl-pyrazole-4-carboxylic acid CAS Name: 5-[[[1-[(2-chloro-4-fluorophenyl)methyl]-4-pyrazolyl]amino]-oxomethyl]-1-methyl-4-pyrazolecarboxylic acid IUPAC Name: 5-[[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid Traditional Name: 5-[[1-(2-chloro-4-fluoro-benzyl)pyrazol-4-yl]carbamoyl]-1-methyl-pyrazole-4-carboxylic acid Formula: C16H13ClFN5O3 MolecularWeight: 377.757523

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)C(=O)O)C(=O)NC2=CN(N=C2)CC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

CN1C(=C(C=N1)C(=O)O)C(=O)NC2=CN(N=C2)CC3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C16H13ClFN5O3/c1-22-14(12(6-19-22)16(25)26)15(24)21-11-5-20-23(8-11)7-9-2-3-10(18)4-13(9)17/h2-6,8H,7H2,1H3,(H,21,24)(H,25,26)