5-azanyl-1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-7-[2-(pyridin-4-ylcarbonylamino)ethylamino]quinoline-3-carboxylic acid

Systemtic Name: 5-azanyl-1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-7-[2-(pyridin-4-ylcarbonylamino)ethylamino]quinoline-3-carboxylic acid Openeye Name: 5-amino-1-cyclopropyl-6,8-difluoro-4-oxo-7-[2-(pyridine-4-carbonylamino)ethylamino]quinoline-3-carboxylic acid CAS Name: 5-amino-1-cyclopropyl-6,8-difluoro-4-oxo-7-[2-[[oxo(pyridin-4-yl)methyl]amino]ethylamino]-3-quinolinecarboxylic acid IUPAC Name: 5-amino-1-cyclopropyl-6,8-difluoro-4-oxo-7-[2-(pyridine-4-carbonylamino)ethylamino]quinoline-3-carboxylic acid Traditional Name: 5-amino-1-cyclopropyl-6,8-difluoro-7-(2-isonicotinamidoethylamino)-4-keto-quinoline-3-carboxylic acid Formula: C21H19F2N5O4 MolecularWeight: 443.403466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19F2N5O4/c22-14-16(24)13-18(28(11-1-2-11)9-12(19(13)29)21(31)32)15(23)17(14)26-7-8-27-20(30)10-3-5-25-6-4-10/h3-6,9,11,26H,1-2,7-8,24H2,(H,27,30)(H,31,32)