methyl 2-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanoylamino]benzoate

Systemtic Name: methyl 2-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanoylamino]benzoate Openeye Name: methyl 2-[[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetyl]amino]benzoate CAS Name: 2-[[2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]amino]benzoate Traditional Name: 2-[[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetyl]amino]benzoic acid methyl ester Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CC(=O)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CC(=O)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C21H21N3O3/c1-14-18(15(2)24(23-14)16-9-5-4-6-10-16)13-20(25)22-19-12-8-7-11-17(19)21(26)27-3/h4-12H,13H2,1-3H3,(H,22,25)