[1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl] 3-(3-methoxyphenyl)-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: [1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl] 3-(3-methoxyphenyl)-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: (1-methyl-2-oxo-2-ureido-ethyl) 1-benzyl-3-(3-methoxyphenyl)pyrazole-4-carboxylate CAS Name: 3-(3-methoxyphenyl)-1-(phenylmethyl)-4-pyrazolecarboxylic acid [1-(carbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-1-oxopropan-2-yl] 1-benzyl-3-(3-methoxyphenyl)pyrazole-4-carboxylate Traditional Name: 1-benzyl-3-(3-methoxyphenyl)pyrazole-4-carboxylic acid (2-keto-1-methyl-2-ureido-ethyl) ester Formula: C22H22N4O5 MolecularWeight: 422.43388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O5/c1-14(20(27)24-22(23)29)31-21(28)18-13-26(12-15-7-4-3-5-8-15)25-19(18)16-9-6-10-17(11-16)30-2/h3-11,13-14H,12H2,1-2H3,(H3,23,24,27,29)