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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)F)N4CCC(C4)(C5=CC=NC=C5)N)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)F)N4CCC(C4)(C5=CC=NC=C5)N)F)C(=O)O

InChI

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