methyl 3-[[1-(2-fluorophenyl)-5-pyrrol-1-yl-pyrazol-4-yl]carbonylamino]benzoate

Systemtic Name: methyl 3-[[1-(2-fluorophenyl)-5-pyrrol-1-yl-pyrazol-4-yl]carbonylamino]benzoate Openeye Name: methyl 3-[[1-(2-fluorophenyl)-5-pyrrol-1-yl-pyrazole-4-carbonyl]amino]benzoate CAS Name: 3-[[[1-(2-fluorophenyl)-5-(1-pyrrolyl)-4-pyrazolyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]amino]benzoate Traditional Name: 3-[[1-(2-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=C1)NC(=O)C2=C(N(N=C2)C3=CC=CC=C3F)N4C=CC=C4

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)C2=C(N(N=C2)C3=CC=CC=C3F)N4C=CC=C4

InChI

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