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

Systemtic Name: [2-(methylamino)-2-oxidanylidene-ethyl] 3-(2-methoxyphenyl)-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [2-(methylamino)-2-oxo-ethyl] 1-benzyl-3-(2-methoxyphenyl)pyrazole-4-carboxylate CAS Name: 3-(2-methoxyphenyl)-1-(phenylmethyl)-4-pyrazolecarboxylic acid [2-(methylamino)-2-oxoethyl] ester IUPAC Name: [2-(methylamino)-2-oxoethyl] 1-benzyl-3-(2-methoxyphenyl)pyrazole-4-carboxylate Traditional Name: 1-benzyl-3-(2-methoxyphenyl)pyrazole-4-carboxylic acid [2-keto-2-(methylamino)ethyl] ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)COC(=O)C1=CN(N=C1C2=CC=CC=C2OC)CC3=CC=CC=C3

Isomeric SMILES

CNC(=O)COC(=O)C1=CN(N=C1C2=CC=CC=C2OC)CC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O4/c1-22-19(25)14-28-21(26)17-13-24(12-15-8-4-3-5-9-15)23-20(17)16-10-6-7-11-18(16)27-2/h3-11,13H,12,14H2,1-2H3,(H,22,25)