[2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] 3-(3-methoxyphenyl)-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: [2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] 3-(3-methoxyphenyl)-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [2-(isobutylcarbamoylamino)-2-oxo-ethyl] 1-benzyl-3-(3-methoxyphenyl)pyrazole-4-carboxylate CAS Name: 3-(3-methoxyphenyl)-1-(phenylmethyl)-4-pyrazolecarboxylic acid [2-[[(2-methylpropylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 1-benzyl-3-(3-methoxyphenyl)pyrazole-4-carboxylate Traditional Name: 1-benzyl-3-(3-methoxyphenyl)pyrazole-4-carboxylic acid [2-(isobutylcarbamoylamino)-2-keto-ethyl] ester Formula: C25H28N4O5 MolecularWeight: 464.51362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)NC(=O)COC(=O)C1=CN(N=C1C2=CC(=CC=C2)OC)CC3=CC=CC=C3

Isomeric SMILES

CC(C)CNC(=O)NC(=O)COC(=O)C1=CN(N=C1C2=CC(=CC=C2)OC)CC3=CC=CC=C3

InChI

InChI=1S/C25H28N4O5/c1-17(2)13-26-25(32)27-22(30)16-34-24(31)21-15-29(14-18-8-5-4-6-9-18)28-23(21)19-10-7-11-20(12-19)33-3/h4-12,15,17H,13-14,16H2,1-3H3,(H2,26,27,30,32)