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

Systemtic Name: 7-[(3S)-3-azanylpyrrolidin-1-yl]-6-fluoranyl-4-oxidanylidene-1-quinolin-5-yl-quinoline-3-carboxylic acid Openeye Name: 7-[(3S)-3-aminopyrrolidin-1-yl]-6-fluoro-4-oxo-1-(5-quinolyl)quinoline-3-carboxylic acid CAS Name: 7-[(3S)-3-amino-1-pyrrolidinyl]-6-fluoro-4-oxo-1-(5-quinolinyl)-3-quinolinecarboxylic acid IUPAC Name: 7-[(3S)-3-aminopyrrolidin-1-yl]-6-fluoro-4-oxo-1-quinolin-5-ylquinoline-3-carboxylic acid Traditional Name: 7-[(3S)-3-aminopyrrolidino]-6-fluoro-4-keto-1-(5-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=CC=CC5=C4C=CC=N5)F

Isomeric SMILES

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

InChI

InChI=1S/C23H19FN4O3/c24-17-9-15-20(10-21(17)27-8-6-13(25)11-27)28(12-16(22(15)29)23(30)31)19-5-1-4-18-14(19)3-2-7-26-18/h1-5,7,9-10,12-13H,6,8,11,25H2,(H,30,31)/t13-/m0/s1