methyl 2-[[1-(4-fluorophenyl)-5-pyrrol-1-yl-pyrazol-4-yl]carbonylamino]benzoate

Systemtic Name: methyl 2-[[1-(4-fluorophenyl)-5-pyrrol-1-yl-pyrazol-4-yl]carbonylamino]benzoate Openeye Name: methyl 2-[[1-(4-fluorophenyl)-5-pyrrol-1-yl-pyrazole-4-carbonyl]amino]benzoate CAS Name: 2-[[[1-(4-fluorophenyl)-5-(1-pyrrolyl)-4-pyrazolyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]amino]benzoate Traditional Name: 2-[[1-(4-fluorophenyl)-5-pyrrol-1-yl-pyrazole-4-carbonyl]amino]benzoic acid methyl ester Formula: C22H17FN4O3 MolecularWeight: 404.393783

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)C2=C(N(N=C2)C3=CC=C(C=C3)F)N4C=CC=C4

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)C2=C(N(N=C2)C3=CC=C(C=C3)F)N4C=CC=C4

InChI

InChI=1S/C22H17FN4O3/c1-30-22(29)17-6-2-3-7-19(17)25-20(28)18-14-24-27(16-10-8-15(23)9-11-16)21(18)26-12-4-5-13-26/h2-14H,1H3,(H,25,28)