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

Systemtic Name: ethyl 4-[[2-[1-(4-fluorophenyl)-5-methyl-pyrazol-4-yl]quinolin-4-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[2-[1-(4-fluorophenyl)-5-methyl-pyrazol-4-yl]quinoline-4-carbonyl]amino]benzoate CAS Name: 4-[[[2-[1-(4-fluorophenyl)-5-methyl-4-pyrazolyl]-4-quinolinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]quinoline-4-carbonyl]amino]benzoate Traditional Name: 4-[[2-[1-(4-fluorophenyl)-5-methyl-pyrazol-4-yl]quinoline-4-carbonyl]amino]benzoic acid ethyl ester Formula: C29H23FN4O3 MolecularWeight: 494.516323

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=C(N(N=C4)C5=CC=C(C=C5)F)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=C(N(N=C4)C5=CC=C(C=C5)F)C

InChI

InChI=1S/C29H23FN4O3/c1-3-37-29(36)19-8-12-21(13-9-19)32-28(35)24-16-27(33-26-7-5-4-6-23(24)26)25-17-31-34(18(25)2)22-14-10-20(30)11-15-22/h4-17H,3H2,1-2H3,(H,32,35)