5-azanyl-7-(3-azanylpyrrolidin-1-yl)-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-8-(trifluoromethyl)quinoline-3-carboxylic acid

Systemtic Name: 5-azanyl-7-(3-azanylpyrrolidin-1-yl)-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-8-(trifluoromethyl)quinoline-3-carboxylic acid Openeye Name: 5-amino-7-(3-aminopyrrolidin-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-8-(trifluoromethyl)quinoline-3-carboxylic acid CAS Name: 5-amino-7-(3-amino-1-pyrrolidinyl)-1-cyclopropyl-6-fluoro-4-oxo-8-(trifluoromethyl)-3-quinolinecarboxylic acid IUPAC Name: 5-amino-7-(3-aminopyrrolidin-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-8-(trifluoromethyl)quinoline-3-carboxylic acid Traditional Name: 5-amino-7-(3-aminopyrrolidino)-1-cyclopropyl-6-fluoro-4-keto-8-(trifluoromethyl)quinoline-3-carboxylic acid Formula: C18H18F4N4O3 MolecularWeight: 414.354133

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=C2C(=C(C(=C3N)F)N4CCC(C4)N)C(F)(F)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=C2C(=C(C(=C3N)F)N4CCC(C4)N)C(F)(F)F)C(=O)O

InChI

InChI=1S/C18H18F4N4O3/c19-12-13(24)10-14(26(8-1-2-8)6-9(16(10)27)17(28)29)11(18(20,21)22)15(12)25-4-3-7(23)5-25/h6-8H,1-5,23-24H2,(H,28,29)