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

Systemtic Name: ethyl 2-methyl-5-[[1-(phenylmethyl)-1,2,4-triazol-3-yl]carbamoyl]pyrazole-3-carboxylate Openeye Name: ethyl 5-[(1-benzyl-1,2,4-triazol-3-yl)carbamoyl]-2-methyl-pyrazole-3-carboxylate CAS Name: 2-methyl-5-[oxo-[[1-(phenylmethyl)-1,2,4-triazol-3-yl]amino]methyl]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(1-benzyl-1,2,4-triazol-3-yl)carbamoyl]-2-methylpyrazole-3-carboxylate Traditional Name: 5-[(1-benzyl-1,2,4-triazol-3-yl)carbamoyl]-2-methyl-pyrazole-3-carboxylic acid ethyl ester Formula: C17H18N6O3 MolecularWeight: 354.36322

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=NN1C)C(=O)NC2=NN(C=N2)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC(=NN1C)C(=O)NC2=NN(C=N2)CC3=CC=CC=C3

InChI

InChI=1S/C17H18N6O3/c1-3-26-16(25)14-9-13(20-22(14)2)15(24)19-17-18-11-23(21-17)10-12-7-5-4-6-8-12/h4-9,11H,3,10H2,1-2H3,(H,19,21,24)