[2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 1-[(2-chlorophenyl)methyl]-3,5-dimethyl-pyrazole-4-carboxylate

Systemtic Name: [2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 1-[(2-chlorophenyl)methyl]-3,5-dimethyl-pyrazole-4-carboxylate Openeye Name: [2-(1,1-dimethylpropylamino)-2-oxo-ethyl] 1-[(2-chlorophenyl)methyl]-3,5-dimethyl-pyrazole-4-carboxylate CAS Name: 1-[(2-chlorophenyl)methyl]-3,5-dimethyl-4-pyrazolecarboxylic acid [2-(2-methylbutan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazole-4-carboxylate Traditional Name: 1-(2-chlorobenzyl)-3,5-dimethyl-pyrazole-4-carboxylic acid [2-(tert-amylamino)-2-keto-ethyl] ester Formula: C20H26ClN3O3 MolecularWeight: 391.89174

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=O)COC(=O)C1=C(N(N=C1C)CC2=CC=CC=C2Cl)C

Isomeric SMILES

CCC(C)(C)NC(=O)COC(=O)C1=C(N(N=C1C)CC2=CC=CC=C2Cl)C

InChI

InChI=1S/C20H26ClN3O3/c1-6-20(4,5)22-17(25)12-27-19(26)18-13(2)23-24(14(18)3)11-15-9-7-8-10-16(15)21/h7-10H,6,11-12H2,1-5H3,(H,22,25)