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

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

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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=CC=C3)Cl

Isomeric SMILES

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

InChI

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