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

Systemtic Name: ethyl 3-[[1-(4-fluorophenyl)-5-pyrrol-1-yl-pyrazol-4-yl]carbonylamino]benzoate Openeye Name: ethyl 3-[[1-(4-fluorophenyl)-5-pyrrol-1-yl-pyrazole-4-carbonyl]amino]benzoate CAS Name: 3-[[[1-(4-fluorophenyl)-5-(1-pyrrolyl)-4-pyrazolyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]amino]benzoate Traditional Name: 3-[[1-(4-fluorophenyl)-5-pyrrol-1-yl-pyrazole-4-carbonyl]amino]benzoic acid ethyl ester Formula: C23H19FN4O3 MolecularWeight: 418.420363

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)C2=C(N(N=C2)C3=CC=C(C=C3)F)N4C=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)C2=C(N(N=C2)C3=CC=C(C=C3)F)N4C=CC=C4

InChI

InChI=1S/C23H19FN4O3/c1-2-31-23(30)16-6-5-7-18(14-16)26-21(29)20-15-25-28(19-10-8-17(24)9-11-19)22(20)27-12-3-4-13-27/h3-15H,2H2,1H3,(H,26,29)