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

Systemtic Name: 7-[(3S)-3-azanylpyrrolidin-1-yl]-6-fluoranyl-4-oxidanylidene-1-quinolin-3-yl-quinoline-3-carboxylic acid Openeye Name: 7-[(3S)-3-aminopyrrolidin-1-yl]-6-fluoro-4-oxo-1-(3-quinolyl)quinoline-3-carboxylic acid CAS Name: 7-[(3S)-3-amino-1-pyrrolidinyl]-6-fluoro-4-oxo-1-(3-quinolinyl)-3-quinolinecarboxylic acid IUPAC Name: 7-[(3S)-3-aminopyrrolidin-1-yl]-6-fluoro-4-oxo-1-quinolin-3-ylquinoline-3-carboxylic acid Traditional Name: 7-[(3S)-3-aminopyrrolidino]-6-fluoro-4-keto-1-(3-quinolyl)quinoline-3-carboxylic acid Formula: C23H19FN4O3 MolecularWeight: 418.420363

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1N)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC5=CC=CC=C5N=C4)F

Isomeric SMILES

C1CN(C[C@H]1N)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC5=CC=CC=C5N=C4)F

InChI

InChI=1S/C23H19FN4O3/c24-18-8-16-20(9-21(18)27-6-5-14(25)11-27)28(12-17(22(16)29)23(30)31)15-7-13-3-1-2-4-19(13)26-10-15/h1-4,7-10,12,14H,5-6,11,25H2,(H,30,31)/t14-/m0/s1