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

Systemtic Name: ethyl 4-[[5-chloranyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]carbonylamino]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C22H22ClN3O3 MolecularWeight: 411.88138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(N(N=C2C)CC3=CC=C(C=C3)C)Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(N(N=C2C)CC3=CC=C(C=C3)C)Cl

InChI

InChI=1S/C22H22ClN3O3/c1-4-29-22(28)17-9-11-18(12-10-17)24-21(27)19-15(3)25-26(20(19)23)13-16-7-5-14(2)6-8-16/h5-12H,4,13H2,1-3H3,(H,24,27)