7-[3-(dimethylamino)pyrrolidin-1-yl]-6-fluoranyl-1-(4-fluorophenyl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[3-(dimethylamino)pyrrolidin-1-yl]-6-fluoranyl-1-(4-fluorophenyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[3-(dimethylamino)pyrrolidin-1-yl]-6-fluoro-1-(4-fluorophenyl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[3-(dimethylamino)-1-pyrrolidinyl]-6-fluoro-1-(4-fluorophenyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[3-(dimethylamino)pyrrolidin-1-yl]-6-fluoro-1-(4-fluorophenyl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[3-(dimethylamino)pyrrolidino]-6-fluoro-1-(4-fluorophenyl)-4-keto-quinoline-3-carboxylic acid Formula: C22H21F2N3O3 MolecularWeight: 413.417246

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1CCN(C1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=C(C=C4)F)F

Isomeric SMILES

CN(C)C1CCN(C1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=C(C=C4)F)F

InChI

InChI=1S/C22H21F2N3O3/c1-25(2)15-7-8-26(11-15)20-10-19-16(9-18(20)24)21(28)17(22(29)30)12-27(19)14-5-3-13(23)4-6-14/h3-6,9-10,12,15H,7-8,11H2,1-2H3,(H,29,30)