ethyl 6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-1-[[4-(trifluoromethyl)phenyl]methyl]quinoline-3-carboxylate

Systemtic Name: ethyl 6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-1-[[4-(trifluoromethyl)phenyl]methyl]quinoline-3-carboxylate Openeye Name: ethyl 6-fluoro-4-oxo-7-piperazin-1-yl-1-[[4-(trifluoromethyl)phenyl]methyl]quinoline-3-carboxylate CAS Name: 6-fluoro-4-oxo-7-(1-piperazinyl)-1-[[4-(trifluoromethyl)phenyl]methyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-fluoro-4-oxo-7-piperazin-1-yl-1-[[4-(trifluoromethyl)phenyl]methyl]quinoline-3-carboxylate Traditional Name: 6-fluoro-4-keto-7-piperazino-1-[4-(trifluoromethyl)benzyl]quinoline-3-carboxylic acid ethyl ester Formula: C24H23F4N3O3 MolecularWeight: 477.451333

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)N3CCNCC3)CC4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)N3CCNCC3)CC4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C24H23F4N3O3/c1-2-34-23(33)18-14-31(13-15-3-5-16(6-4-15)24(26,27)28)20-12-21(30-9-7-29-8-10-30)19(25)11-17(20)22(18)32/h3-6,11-12,14,29H,2,7-10,13H2,1H3