methyl 4-[[5-chloranyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]carbonylamino]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)NC3=CC=C(C=C3)C(=O)OC)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)NC3=CC=C(C=C3)C(=O)OC)Cl

InChI

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