5-[[4-bromanyl-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]carbamoyl]-1-methyl-pyrazole-4-carboxylic acid

Systemtic Name: 5-[[4-bromanyl-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]carbamoyl]-1-methyl-pyrazole-4-carboxylic acid Openeye Name: 5-[[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]carbamoyl]-1-methyl-pyrazole-4-carboxylic acid CAS Name: 5-[[[4-bromo-1-[(2-chlorophenyl)methyl]-3-pyrazolyl]amino]-oxomethyl]-1-methyl-4-pyrazolecarboxylic acid IUPAC Name: 5-[[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid Traditional Name: 5-[[4-bromo-1-(2-chlorobenzyl)pyrazol-3-yl]carbamoyl]-1-methyl-pyrazole-4-carboxylic acid Formula: C16H13BrClN5O3 MolecularWeight: 438.66312

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)C(=O)O)C(=O)NC2=NN(C=C2Br)CC3=CC=CC=C3Cl

Isomeric SMILES

CN1C(=C(C=N1)C(=O)O)C(=O)NC2=NN(C=C2Br)CC3=CC=CC=C3Cl

InChI

InChI=1S/C16H13BrClN5O3/c1-22-13(10(6-19-22)16(25)26)15(24)20-14-11(17)8-23(21-14)7-9-4-2-3-5-12(9)18/h2-6,8H,7H2,1H3,(H,25,26)(H,20,21,24)