[1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 1,3-diphenylpyrazole-4-carboxylate

Systemtic Name: [1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 1,3-diphenylpyrazole-4-carboxylate Openeye Name: (1-allophanoyl-2-methyl-propyl) 1,3-diphenylpyrazole-4-carboxylate CAS Name: 1,3-diphenyl-4-pyrazolecarboxylic acid [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 1,3-diphenylpyrazole-4-carboxylate Traditional Name: 1,3-diphenylpyrazole-4-carboxylic acid (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=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

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

InChI

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