[2-(cyclohexylcarbamoylamino)-2-oxidanylidene-ethyl] 5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxylate

Systemtic Name: [2-(cyclohexylcarbamoylamino)-2-oxidanylidene-ethyl] 5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxylate Openeye Name: [2-(cyclohexylcarbamoylamino)-2-oxo-ethyl] 5-chloro-1-isobutyl-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-(2-methylpropyl)-4-pyrazolecarboxylic acid [2-[[(cyclohexylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 5-chloro-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxylate Traditional Name: 5-chloro-1-isobutyl-3-methyl-pyrazole-4-carboxylic acid [2-(cyclohexylcarbamoylamino)-2-keto-ethyl] ester Formula: C18H27ClN4O4 MolecularWeight: 398.88438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27ClN4O4/c1-11(2)9-23-16(19)15(12(3)22-23)17(25)27-10-14(24)21-18(26)20-13-7-5-4-6-8-13/h11,13H,4-10H2,1-3H3,(H2,20,21,24,26)