[1-(cyclohexylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 5-chloranyl-3-methyl-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [1-(cyclohexylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 5-chloranyl-3-methyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-(cyclohexylcarbamoylamino)-1-methyl-2-oxo-ethyl] 5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-phenyl-4-pyrazolecarboxylic acid [1-[[(cyclohexylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate Traditional Name: 5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxylic acid [2-(cyclohexylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H25ClN4O4 MolecularWeight: 432.9006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OC(C)C(=O)NC(=O)NC2CCCCC2)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C(=O)OC(C)C(=O)NC(=O)NC2CCCCC2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C21H25ClN4O4/c1-13-17(18(22)26(25-13)16-11-7-4-8-12-16)20(28)30-14(2)19(27)24-21(29)23-15-9-5-3-6-10-15/h4,7-8,11-12,14-15H,3,5-6,9-10H2,1-2H3,(H2,23,24,27,29)