3-[[3-(3,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]carbonylamino]benzoic acid

Systemtic Name: 3-[[3-(3,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]carbonylamino]benzoic acid Openeye Name: 3-[[3-(3,4-dimethylphenyl)-1-phenyl-pyrazole-4-carbonyl]amino]benzoic acid CAS Name: 3-[[[3-(3,4-dimethylphenyl)-1-phenyl-4-pyrazolyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[3-(3,4-dimethylphenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoic acid Traditional Name: 3-[[3-(3,4-dimethylphenyl)-1-phenyl-pyrazole-4-carbonyl]amino]benzoic acid Formula: C25H21N3O3 MolecularWeight: 411.45254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C=C2C(=O)NC3=CC=CC(=C3)C(=O)O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C=C2C(=O)NC3=CC=CC(=C3)C(=O)O)C4=CC=CC=C4)C

InChI

InChI=1S/C25H21N3O3/c1-16-11-12-18(13-17(16)2)23-22(15-28(27-23)21-9-4-3-5-10-21)24(29)26-20-8-6-7-19(14-20)25(30)31/h3-15H,1-2H3,(H,26,29)(H,30,31)