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

Systemtic Name: 7-[(3S)-3-azanylpyrrolidin-1-yl]-6-fluoranyl-4-oxidanylidene-1-quinolin-6-yl-1,8-naphthyridine-3-carboxylic acid Openeye Name: 7-[(3S)-3-aminopyrrolidin-1-yl]-6-fluoro-4-oxo-1-(6-quinolyl)-1,8-naphthyridine-3-carboxylic acid CAS Name: 7-[(3S)-3-amino-1-pyrrolidinyl]-6-fluoro-4-oxo-1-(6-quinolinyl)-1,8-naphthyridine-3-carboxylic acid IUPAC Name: 7-[(3S)-3-aminopyrrolidin-1-yl]-6-fluoro-4-oxo-1-quinolin-6-yl-1,8-naphthyridine-3-carboxylic acid Traditional Name: 7-[(3S)-3-aminopyrrolidino]-6-fluoro-4-keto-1-(6-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=CC5=C(C=C4)N=CC=C5)C(=O)O)F

Isomeric SMILES

C1CN(C[C@H]1N)C2=C(C=C3C(=O)C(=CN(C3=N2)C4=CC5=C(C=C4)N=CC=C5)C(=O)O)F

InChI

InChI=1S/C22H18FN5O3/c23-17-9-15-19(29)16(22(30)31)11-28(14-3-4-18-12(8-14)2-1-6-25-18)20(15)26-21(17)27-7-5-13(24)10-27/h1-4,6,8-9,11,13H,5,7,10,24H2,(H,30,31)/t13-/m0/s1