7-[3-(aminomethyl)pyrrolidin-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-8-(trifluoromethyl)quinoline-3-carboxylic acid

Systemtic Name: 7-[3-(aminomethyl)pyrrolidin-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-8-(trifluoromethyl)quinoline-3-carboxylic acid Openeye Name: 7-[3-(aminomethyl)pyrrolidin-1-yl]-1-ethyl-6-fluoro-4-oxo-8-(trifluoromethyl)quinoline-3-carboxylic acid CAS Name: 7-[3-(aminomethyl)-1-pyrrolidinyl]-1-ethyl-6-fluoro-4-oxo-8-(trifluoromethyl)-3-quinolinecarboxylic acid IUPAC Name: 7-[3-(aminomethyl)pyrrolidin-1-yl]-1-ethyl-6-fluoro-4-oxo-8-(trifluoromethyl)quinoline-3-carboxylic acid Traditional Name: 7-[3-(aminomethyl)pyrrolidino]-1-ethyl-6-fluoro-4-keto-8-(trifluoromethyl)quinoline-3-carboxylic acid Formula: C18H19F4N3O3 MolecularWeight: 401.355373

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C(=C21)C(F)(F)F)N3CCC(C3)CN)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C(=C21)C(F)(F)F)N3CCC(C3)CN)F)C(=O)O

InChI

InChI=1S/C18H19F4N3O3/c1-2-24-8-11(17(27)28)16(26)10-5-12(19)15(13(14(10)24)18(20,21)22)25-4-3-9(6-23)7-25/h5,8-9H,2-4,6-7,23H2,1H3,(H,27,28)