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

Systemtic Name: ethyl 6-fluoranyl-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-1-(trifluoromethyl)quinoline-3-carboxylate Openeye Name: ethyl 6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1-(trifluoromethyl)quinoline-3-carboxylate CAS Name: 6-fluoro-7-(4-methyl-1-piperazinyl)-4-oxo-1-(trifluoromethyl)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1-(trifluoromethyl)quinoline-3-carboxylate Traditional Name: 6-fluoro-4-keto-7-(4-methylpiperazino)-1-(trifluoromethyl)quinoline-3-carboxylic acid ethyl ester Formula: C18H19F4N3O3 MolecularWeight: 401.355373

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)N3CCN(CC3)C)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)N3CCN(CC3)C)C(F)(F)F

InChI

InChI=1S/C18H19F4N3O3/c1-3-28-17(27)12-10-25(18(20,21)22)14-9-15(13(19)8-11(14)16(12)26)24-6-4-23(2)5-7-24/h8-10H,3-7H2,1-2H3