7-[(3S)-3-azanylpyrrolidin-1-yl]-6-fluoranyl-4-oxidanylidene-1-quinolin-5-yl-1,8-naphthyridine-3-carboxylic acid

Systemtic Name: 7-[(3S)-3-azanylpyrrolidin-1-yl]-6-fluoranyl-4-oxidanylidene-1-quinolin-5-yl-1,8-naphthyridine-3-carboxylic acid Openeye Name: 7-[(3S)-3-aminopyrrolidin-1-yl]-6-fluoro-4-oxo-1-(5-quinolyl)-1,8-naphthyridine-3-carboxylic acid CAS Name: 7-[(3S)-3-amino-1-pyrrolidinyl]-6-fluoro-4-oxo-1-(5-quinolinyl)-1,8-naphthyridine-3-carboxylic acid IUPAC Name: 7-[(3S)-3-aminopyrrolidin-1-yl]-6-fluoro-4-oxo-1-quinolin-5-yl-1,8-naphthyridine-3-carboxylic acid Traditional Name: 7-[(3S)-3-aminopyrrolidino]-6-fluoro-4-keto-1-(5-quinolyl)-1,8-naphthyridine-3-carboxylic acid Formula: C22H18FN5O3 MolecularWeight: 419.408423

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1N)C2=C(C=C3C(=O)C(=CN(C3=N2)C4=CC=CC5=C4C=CC=N5)C(=O)O)F

Isomeric SMILES

C1CN(C[C@H]1N)C2=C(C=C3C(=O)C(=CN(C3=N2)C4=CC=CC5=C4C=CC=N5)C(=O)O)F

InChI

InChI=1S/C22H18FN5O3/c23-16-9-14-19(29)15(22(30)31)11-28(18-5-1-4-17-13(18)3-2-7-25-17)20(14)26-21(16)27-8-6-12(24)10-27/h1-5,7,9,11-12H,6,8,10,24H2,(H,30,31)/t12-/m0/s1