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

Systemtic Name: [2-(butylcarbamoylamino)-2-oxidanylidene-ethyl] 5-chloranyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate Openeye Name: [2-(butylcarbamoylamino)-2-oxo-ethyl] 5-chloro-3-methyl-1-(p-tolylmethyl)pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-4-pyrazolecarboxylic acid [2-[[butylamino(oxo)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(butylcarbamoylamino)-2-oxoethyl] 5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate Traditional Name: 5-chloro-3-methyl-1-(4-methylbenzyl)pyrazole-4-carboxylic acid [2-(butylcarbamoylamino)-2-keto-ethyl] ester Formula: C20H25ClN4O4 MolecularWeight: 420.8899

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC(=O)COC(=O)C1=C(N(N=C1C)CC2=CC=C(C=C2)C)Cl

Isomeric SMILES

CCCCNC(=O)NC(=O)COC(=O)C1=C(N(N=C1C)CC2=CC=C(C=C2)C)Cl

InChI

InChI=1S/C20H25ClN4O4/c1-4-5-10-22-20(28)23-16(26)12-29-19(27)17-14(3)24-25(18(17)21)11-15-8-6-13(2)7-9-15/h6-9H,4-5,10-12H2,1-3H3,(H2,22,23,26,28)