[(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2,5-diphenylpyrazole-3-carboxylate

Systemtic Name: [(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2,5-diphenylpyrazole-3-carboxylate Openeye Name: [(1R)-1-allophanoyl-2-methyl-propyl] 2,5-diphenylpyrazole-3-carboxylate CAS Name: 2,5-diphenyl-3-pyrazolecarboxylic acid [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2,5-diphenylpyrazole-3-carboxylate Traditional Name: 2,5-diphenylpyrazole-3-carboxylic acid [(1R)-1-allophanoyl-2-methyl-propyl] ester Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)OC(=O)C1=CC(=NN1C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)[C@H](C(=O)NC(=O)N)OC(=O)C1=CC(=NN1C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H22N4O4/c1-14(2)19(20(27)24-22(23)29)30-21(28)18-13-17(15-9-5-3-6-10-15)25-26(18)16-11-7-4-8-12-16/h3-14,19H,1-2H3,(H3,23,24,27,29)/t19-/m1/s1