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

Systemtic Name: [2-(cyclohexylamino)-2-oxidanylidene-ethyl] 1-[(2-chlorophenyl)methyl]-3,5-dimethyl-pyrazole-4-carboxylate Openeye Name: [2-(cyclohexylamino)-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-(cyclohexylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylamino)-2-oxoethyl] 1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazole-4-carboxylate Traditional Name: 1-(2-chlorobenzyl)-3,5-dimethyl-pyrazole-4-carboxylic acid [2-(cyclohexylamino)-2-keto-ethyl] ester Formula: C21H26ClN3O3 MolecularWeight: 403.90244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2Cl)C)C(=O)OCC(=O)NC3CCCCC3

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2Cl)C)C(=O)OCC(=O)NC3CCCCC3

InChI

InChI=1S/C21H26ClN3O3/c1-14-20(15(2)25(24-14)12-16-8-6-7-11-18(16)22)21(27)28-13-19(26)23-17-9-4-3-5-10-17/h6-8,11,17H,3-5,9-10,12-13H2,1-2H3,(H,23,26)