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

Systemtic Name: 5-azanyl-1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-7-[2-(quinolin-2-ylcarbonylamino)ethylamino]quinoline-3-carboxylic acid Openeye Name: 5-amino-1-cyclopropyl-6,8-difluoro-4-oxo-7-[2-(quinoline-2-carbonylamino)ethylamino]quinoline-3-carboxylic acid CAS Name: 5-amino-1-cyclopropyl-6,8-difluoro-4-oxo-7-[2-[[oxo(2-quinolinyl)methyl]amino]ethylamino]-3-quinolinecarboxylic acid IUPAC Name: 5-amino-1-cyclopropyl-6,8-difluoro-4-oxo-7-[2-(quinoline-2-carbonylamino)ethylamino]quinoline-3-carboxylic acid Traditional Name: 5-amino-1-cyclopropyl-6,8-difluoro-4-keto-7-[2-(quinaldoylamino)ethylamino]quinoline-3-carboxylic acid Formula: C25H21F2N5O4 MolecularWeight: 493.462146

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=C2C(=C(C(=C3N)F)NCCNC(=O)C4=NC5=CC=CC=C5C=C4)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=C2C(=C(C(=C3N)F)NCCNC(=O)C4=NC5=CC=CC=C5C=C4)F)C(=O)O

InChI

InChI=1S/C25H21F2N5O4/c26-18-20(28)17-22(32(13-6-7-13)11-14(23(17)33)25(35)36)19(27)21(18)29-9-10-30-24(34)16-8-5-12-3-1-2-4-15(12)31-16/h1-5,8,11,13,29H,6-7,9-10,28H2,(H,30,34)(H,35,36)