7-(2-azanylpyrrolidin-1-yl)-6,8-bis(fluoranyl)-1-(2-methylbut-3-yn-2-yl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-(2-azanylpyrrolidin-1-yl)-6,8-bis(fluoranyl)-1-(2-methylbut-3-yn-2-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-(2-aminopyrrolidin-1-yl)-1-(1,1-dimethylprop-2-ynyl)-6,8-difluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-(2-amino-1-pyrrolidinyl)-6,8-difluoro-1-(2-methylbut-3-yn-2-yl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-(2-aminopyrrolidin-1-yl)-6,8-difluoro-1-(2-methylbut-3-yn-2-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(2-aminopyrrolidino)-1-(1,1-dimethylprop-2-ynyl)-6,8-difluoro-4-keto-quinoline-3-carboxylic acid Formula: C19H19F2N3O3 MolecularWeight: 375.369266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#C)N1C=C(C(=O)C2=CC(=C(C(=C21)F)N3CCCC3N)F)C(=O)O

Isomeric SMILES

CC(C)(C#C)N1C=C(C(=O)C2=CC(=C(C(=C21)F)N3CCCC3N)F)C(=O)O

InChI

InChI=1S/C19H19F2N3O3/c1-4-19(2,3)24-9-11(18(26)27)17(25)10-8-12(20)16(14(21)15(10)24)23-7-5-6-13(23)22/h1,8-9,13H,5-7,22H2,2-3H3,(H,26,27)