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

Systemtic Name: [2-[(4-methylphenyl)methylamino]-2-oxidanylidene-ethyl] 5-chloranyl-3-methyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-oxo-2-(p-tolylmethylamino)ethyl] 5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-phenyl-4-pyrazolecarboxylic acid [2-[(4-methylphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate Traditional Name: 5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxylic acid [2-keto-2-[(4-methylbenzyl)amino]ethyl] ester Formula: C21H20ClN3O3 MolecularWeight: 397.8548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)COC(=O)C2=C(N(N=C2C)C3=CC=CC=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)COC(=O)C2=C(N(N=C2C)C3=CC=CC=C3)Cl

InChI

InChI=1S/C21H20ClN3O3/c1-14-8-10-16(11-9-14)12-23-18(26)13-28-21(27)19-15(2)24-25(20(19)22)17-6-4-3-5-7-17/h3-11H,12-13H2,1-2H3,(H,23,26)