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

Systemtic Name: ethyl 4-[[1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-yl-pyrazol-4-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-yl-pyrazole-4-carbonyl]amino]benzoate CAS Name: 4-[[[1-(4-fluorophenyl)-3-methyl-5-(1-pyrrolyl)-4-pyrazolyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl]amino]benzoate Traditional Name: 4-[[1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-yl-pyrazole-4-carbonyl]amino]benzoic acid ethyl ester Formula: C24H21FN4O3 MolecularWeight: 432.446943

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(N(N=C2C)C3=CC=C(C=C3)F)N4C=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(N(N=C2C)C3=CC=C(C=C3)F)N4C=CC=C4

InChI

InChI=1S/C24H21FN4O3/c1-3-32-24(31)17-6-10-19(11-7-17)26-22(30)21-16(2)27-29(20-12-8-18(25)9-13-20)23(21)28-14-4-5-15-28/h4-15H,3H2,1-2H3,(H,26,30)