[2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] 1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: [2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] 1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [2-(isobutylcarbamoylamino)-2-oxo-ethyl] 1-benzylpyrazole-4-carboxylate CAS Name: 1-(phenylmethyl)-4-pyrazolecarboxylic acid [2-[[(2-methylpropylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 1-benzylpyrazole-4-carboxylate Traditional Name: 1-benzylpyrazole-4-carboxylic acid [2-(isobutylcarbamoylamino)-2-keto-ethyl] ester Formula: C18H22N4O4 MolecularWeight: 358.39168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)NC(=O)COC(=O)C1=CN(N=C1)CC2=CC=CC=C2

Isomeric SMILES

CC(C)CNC(=O)NC(=O)COC(=O)C1=CN(N=C1)CC2=CC=CC=C2

InChI

InChI=1S/C18H22N4O4/c1-13(2)8-19-18(25)21-16(23)12-26-17(24)15-9-20-22(11-15)10-14-6-4-3-5-7-14/h3-7,9,11,13H,8,10,12H2,1-2H3,(H2,19,21,23,25)