5-acetamido-1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid

Systemtic Name: 5-acetamido-1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 5-acetamido-1-cyclopropyl-6,8-difluoro-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid CAS Name: 5-acetamido-1-cyclopropyl-6,8-difluoro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 5-acetamido-1-cyclopropyl-6,8-difluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 5-acetamido-1-cyclopropyl-6,8-difluoro-4-keto-7-piperazino-quinoline-3-carboxylic acid Formula: C19H20F2N4O4 MolecularWeight: 406.383306

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C(=C(C2=C1C(=O)C(=CN2C3CC3)C(=O)O)F)N4CCNCC4)F

Isomeric SMILES

CC(=O)NC1=C(C(=C(C2=C1C(=O)C(=CN2C3CC3)C(=O)O)F)N4CCNCC4)F

InChI

InChI=1S/C19H20F2N4O4/c1-9(26)23-15-12-16(14(21)17(13(15)20)24-6-4-22-5-7-24)25(10-2-3-10)8-11(18(12)27)19(28)29/h8,10,22H,2-7H2,1H3,(H,23,26)(H,28,29)