ethyl 1-ethyl-6-fluoranyl-7-(1-methylpyrazol-3-yl)-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: ethyl 1-ethyl-6-fluoranyl-7-(1-methylpyrazol-3-yl)-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 1-ethyl-6-fluoro-7-(1-methylpyrazol-3-yl)-4-oxo-quinoline-3-carboxylate CAS Name: 1-ethyl-6-fluoro-7-(1-methyl-3-pyrazolyl)-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-6-fluoro-7-(1-methylpyrazol-3-yl)-4-oxoquinoline-3-carboxylate Traditional Name: 1-ethyl-6-fluoro-4-keto-7-(1-methylpyrazol-3-yl)quinoline-3-carboxylic acid ethyl ester Formula: C18H18FN3O3 MolecularWeight: 343.352223

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)C3=NN(C=C3)C)F)C(=O)OCC

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)C3=NN(C=C3)C)F)C(=O)OCC

InChI

InChI=1S/C18H18FN3O3/c1-4-22-10-13(18(24)25-5-2)17(23)12-8-14(19)11(9-16(12)22)15-6-7-21(3)20-15/h6-10H,4-5H2,1-3H3