5-azanyl-1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-7-(3-pyridin-4-ylpyrrolidin-1-yl)quinoline-3-carboxylic acid

Systemtic Name: 5-azanyl-1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-7-(3-pyridin-4-ylpyrrolidin-1-yl)quinoline-3-carboxylic acid Openeye Name: 5-amino-1-cyclopropyl-6,8-difluoro-4-oxo-7-[3-(4-pyridyl)pyrrolidin-1-yl]quinoline-3-carboxylic acid CAS Name: 5-amino-1-cyclopropyl-6,8-difluoro-4-oxo-7-(3-pyridin-4-yl-1-pyrrolidinyl)-3-quinolinecarboxylic acid IUPAC Name: 5-amino-1-cyclopropyl-6,8-difluoro-4-oxo-7-(3-pyridin-4-ylpyrrolidin-1-yl)quinoline-3-carboxylic acid Traditional Name: 5-amino-1-cyclopropyl-6,8-difluoro-4-keto-7-[3-(4-pyridyl)pyrrolidino]quinoline-3-carboxylic acid Formula: C22H20F2N4O3 MolecularWeight: 426.416006

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=C2C(=C(C(=C3N)F)N4CCC(C4)C5=CC=NC=C5)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=C2C(=C(C(=C3N)F)N4CCC(C4)C5=CC=NC=C5)F)C(=O)O

InChI

InChI=1S/C22H20F2N4O3/c23-16-18(25)15-19(28(13-1-2-13)10-14(21(15)29)22(30)31)17(24)20(16)27-8-5-12(9-27)11-3-6-26-7-4-11/h3-4,6-7,10,12-13H,1-2,5,8-9,25H2,(H,30,31)