[1-oxidanylidene-1-(propan-2-ylcarbamoylamino)propan-2-yl] 1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: [1-oxidanylidene-1-(propan-2-ylcarbamoylamino)propan-2-yl] 1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [2-(isopropylcarbamoylamino)-1-methyl-2-oxo-ethyl] 1-benzylpyrazole-4-carboxylate CAS Name: 1-(phenylmethyl)-4-pyrazolecarboxylic acid [1-oxo-1-[[oxo-(propan-2-ylamino)methyl]amino]propan-2-yl] ester IUPAC Name: [1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 1-benzylpyrazole-4-carboxylate Traditional Name: 1-benzylpyrazole-4-carboxylic acid [2-(isopropylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H22N4O4 MolecularWeight: 358.39168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O4/c1-12(2)20-18(25)21-16(23)13(3)26-17(24)15-9-19-22(11-15)10-14-7-5-4-6-8-14/h4-9,11-13H,10H2,1-3H3,(H2,20,21,23,25)