1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[3-(trifluoromethyl)piperazin-1-yl]quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[3-(trifluoromethyl)piperazin-1-yl]quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-4-oxo-7-[3-(trifluoromethyl)piperazin-1-yl]quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-4-oxo-7-[3-(trifluoromethyl)-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-4-oxo-7-[3-(trifluoromethyl)piperazin-1-yl]quinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-7-[3-(trifluoromethyl)piperazino]quinoline-3-carboxylic acid Formula: C18H17F4N3O3 MolecularWeight: 399.339493

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNC(C4)C(F)(F)F)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNC(C4)C(F)(F)F)F)C(=O)O

InChI

InChI=1S/C18H17F4N3O3/c19-12-5-10-13(25(9-1-2-9)7-11(16(10)26)17(27)28)6-14(12)24-4-3-23-15(8-24)18(20,21)22/h5-7,9,15,23H,1-4,8H2,(H,27,28)