7-[2-(aminomethyl)-1-pyrrolidin-1-yl-cyclopropyl]-6-fluoranyl-4-oxidanylidene-8-(trifluoromethyl)-1H-quinoline-3-carboxylic acid

Systemtic Name: 7-[2-(aminomethyl)-1-pyrrolidin-1-yl-cyclopropyl]-6-fluoranyl-4-oxidanylidene-8-(trifluoromethyl)-1H-quinoline-3-carboxylic acid Openeye Name: 7-[2-(aminomethyl)-1-pyrrolidin-1-yl-cyclopropyl]-6-fluoro-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxylic acid CAS Name: 7-[2-(aminomethyl)-1-(1-pyrrolidinyl)cyclopropyl]-6-fluoro-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxylic acid IUPAC Name: 7-[2-(aminomethyl)-1-pyrrolidin-1-ylcyclopropyl]-6-fluoro-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxylic acid Traditional Name: 7-[2-(aminomethyl)-1-pyrrolidino-cyclopropyl]-6-fluoro-4-keto-8-(trifluoromethyl)-1H-quinoline-3-carboxylic acid Formula: C19H19F4N3O3 MolecularWeight: 413.366073

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2(CC2CN)C3=C(C=C4C(=C3C(F)(F)F)NC=C(C4=O)C(=O)O)F

Isomeric SMILES

C1CCN(C1)C2(CC2CN)C3=C(C=C4C(=C3C(F)(F)F)NC=C(C4=O)C(=O)O)F

InChI

InChI=1S/C19H19F4N3O3/c20-12-5-10-15(25-8-11(16(10)27)17(28)29)14(19(21,22)23)13(12)18(6-9(18)7-24)26-3-1-2-4-26/h5,8-9H,1-4,6-7,24H2,(H,25,27)(H,28,29)