1-methyl-5-[[1-(phenylmethyl)-1,2,4-triazol-3-yl]carbamoyl]pyrazole-4-carboxylic acid

Systemtic Name: 1-methyl-5-[[1-(phenylmethyl)-1,2,4-triazol-3-yl]carbamoyl]pyrazole-4-carboxylic acid Openeye Name: 5-[(1-benzyl-1,2,4-triazol-3-yl)carbamoyl]-1-methyl-pyrazole-4-carboxylic acid CAS Name: 1-methyl-5-[oxo-[[1-(phenylmethyl)-1,2,4-triazol-3-yl]amino]methyl]-4-pyrazolecarboxylic acid IUPAC Name: 5-[(1-benzyl-1,2,4-triazol-3-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid Traditional Name: 5-[(1-benzyl-1,2,4-triazol-3-yl)carbamoyl]-1-methyl-pyrazole-4-carboxylic acid Formula: C15H14N6O3 MolecularWeight: 326.31006

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)C(=O)O)C(=O)NC2=NN(C=N2)CC3=CC=CC=C3

Isomeric SMILES

CN1C(=C(C=N1)C(=O)O)C(=O)NC2=NN(C=N2)CC3=CC=CC=C3

InChI

InChI=1S/C15H14N6O3/c1-20-12(11(7-17-20)14(23)24)13(22)18-15-16-9-21(19-15)8-10-5-3-2-4-6-10/h2-7,9H,8H2,1H3,(H,23,24)(H,18,19,22)