5-azanyl-1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-7-pyridin-2-yl-3-pyrrolidin-1-yl-2H-quinoline-3-carboxylic acid

Systemtic Name: 5-azanyl-1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-7-pyridin-2-yl-3-pyrrolidin-1-yl-2H-quinoline-3-carboxylic acid Openeye Name: 5-amino-1-cyclopropyl-6,8-difluoro-4-oxo-7-(2-pyridyl)-3-pyrrolidin-1-yl-2H-quinoline-3-carboxylic acid CAS Name: 5-amino-1-cyclopropyl-6,8-difluoro-4-oxo-7-(2-pyridinyl)-3-(1-pyrrolidinyl)-2H-quinoline-3-carboxylic acid IUPAC Name: 5-amino-1-cyclopropyl-6,8-difluoro-4-oxo-7-pyridin-2-yl-3-pyrrolidin-1-yl-2H-quinoline-3-carboxylic acid Traditional Name: 5-amino-1-cyclopropyl-6,8-difluoro-4-keto-7-(2-pyridyl)-3-pyrrolidino-2H-quinoline-3-carboxylic acid Formula: C22H22F2N4O3 MolecularWeight: 428.431886

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2(CN(C3=C(C2=O)C(=C(C(=C3F)C4=CC=CC=N4)F)N)C5CC5)C(=O)O

Isomeric SMILES

C1CCN(C1)C2(CN(C3=C(C2=O)C(=C(C(=C3F)C4=CC=CC=N4)F)N)C5CC5)C(=O)O

InChI

InChI=1S/C22H22F2N4O3/c23-16-14(13-5-1-2-8-26-13)17(24)19-15(18(16)25)20(29)22(21(30)31,27-9-3-4-10-27)11-28(19)12-6-7-12/h1-2,5,8,12H,3-4,6-7,9-11,25H2,(H,30,31)