methyl 4-[[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)carbonyl-methyl-amino]methyl]benzoate

Systemtic Name: methyl 4-[[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)carbonyl-methyl-amino]methyl]benzoate Openeye Name: methyl 4-[[(5-chloro-3-methyl-1-phenyl-pyrazole-4-carbonyl)-methyl-amino]methyl]benzoate CAS Name: 4-[[[(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-oxomethyl]-methylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)-methylamino]methyl]benzoate Traditional Name: 4-[[(5-chloro-3-methyl-1-phenyl-pyrazole-4-carbonyl)-methyl-amino]methyl]benzoic acid methyl ester Formula: C21H20ClN3O3 MolecularWeight: 397.8548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)N(C)CC2=CC=C(C=C2)C(=O)OC)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C(=O)N(C)CC2=CC=C(C=C2)C(=O)OC)Cl)C3=CC=CC=C3

InChI

InChI=1S/C21H20ClN3O3/c1-14-18(19(22)25(23-14)17-7-5-4-6-8-17)20(26)24(2)13-15-9-11-16(12-10-15)21(27)28-3/h4-12H,13H2,1-3H3