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

Systemtic Name: (4-aminocarbonylphenyl)methyl 1-[(2-chlorophenyl)methyl]-3,5-dimethyl-pyrazole-4-carboxylate Openeye Name: (4-carbamoylphenyl)methyl 1-[(2-chlorophenyl)methyl]-3,5-dimethyl-pyrazole-4-carboxylate CAS Name: 1-[(2-chlorophenyl)methyl]-3,5-dimethyl-4-pyrazolecarboxylic acid (4-carbamoylphenyl)methyl ester IUPAC Name: (4-carbamoylphenyl)methyl 1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazole-4-carboxylate Traditional Name: 1-(2-chlorobenzyl)-3,5-dimethyl-pyrazole-4-carboxylic acid (4-carbamoylbenzyl) ester Formula: C21H20ClN3O3 MolecularWeight: 397.8548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2Cl)C)C(=O)OCC3=CC=C(C=C3)C(=O)N

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2Cl)C)C(=O)OCC3=CC=C(C=C3)C(=O)N

InChI

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