5-[[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-5-methyl-pyrazol-3-yl]carbamoyl]-1-methyl-pyrazole-4-carboxylic acid

Systemtic Name: 5-[[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-5-methyl-pyrazol-3-yl]carbamoyl]-1-methyl-pyrazole-4-carboxylic acid Openeye Name: 5-[[1-[(2-chloro-6-fluoro-phenyl)methyl]-5-methyl-pyrazol-3-yl]carbamoyl]-1-methyl-pyrazole-4-carboxylic acid CAS Name: 5-[[[1-[(2-chloro-6-fluorophenyl)methyl]-5-methyl-3-pyrazolyl]amino]-oxomethyl]-1-methyl-4-pyrazolecarboxylic acid IUPAC Name: 5-[[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid Traditional Name: 5-[[1-(2-chloro-6-fluoro-benzyl)-5-methyl-pyrazol-3-yl]carbamoyl]-1-methyl-pyrazole-4-carboxylic acid Formula: C17H15ClFN5O3 MolecularWeight: 391.784103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC2=C(C=CC=C2Cl)F)NC(=O)C3=C(C=NN3C)C(=O)O

Isomeric SMILES

CC1=CC(=NN1CC2=C(C=CC=C2Cl)F)NC(=O)C3=C(C=NN3C)C(=O)O

InChI

InChI=1S/C17H15ClFN5O3/c1-9-6-14(21-16(25)15-10(17(26)27)7-20-23(15)2)22-24(9)8-11-12(18)4-3-5-13(11)19/h3-7H,8H2,1-2H3,(H,26,27)(H,21,22,25)