5-azanyl-8-[bis(fluoranyl)methoxy]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid

Systemtic Name: 5-azanyl-8-[bis(fluoranyl)methoxy]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 5-amino-1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid CAS Name: 5-amino-1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 5-amino-1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 5-amino-1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-4-keto-7-piperazino-quinoline-3-carboxylic acid Formula: C18H19F3N4O4 MolecularWeight: 412.36307

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=C2C(=C(C(=C3N)F)N4CCNCC4)OC(F)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=C2C(=C(C(=C3N)F)N4CCNCC4)OC(F)F)C(=O)O

InChI

InChI=1S/C18H19F3N4O4/c19-11-12(22)10-13(25(8-1-2-8)7-9(15(10)26)17(27)28)16(29-18(20)21)14(11)24-5-3-23-4-6-24/h7-8,18,23H,1-6,22H2,(H,27,28)