5-azanyl-1-cyclopropyl-6,8-bis(fluoranyl)-7-(2-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 5-azanyl-1-cyclopropyl-6,8-bis(fluoranyl)-7-(2-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 5-amino-1-cyclopropyl-6,8-difluoro-7-(2-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 5-amino-1-cyclopropyl-6,8-difluoro-7-(2-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 5-amino-1-cyclopropyl-6,8-difluoro-7-(2-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 5-amino-1-cyclopropyl-6,8-difluoro-4-keto-7-(2-methylpiperazino)quinoline-3-carboxylic acid Formula: C18H20F2N4O3 MolecularWeight: 378.373206

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Descriptors Computed from Structure

Canonical SMILES:

CC1CNCCN1C2=C(C3=C(C(=C2F)N)C(=O)C(=CN3C4CC4)C(=O)O)F

Isomeric SMILES

CC1CNCCN1C2=C(C3=C(C(=C2F)N)C(=O)C(=CN3C4CC4)C(=O)O)F

InChI

InChI=1S/C18H20F2N4O3/c1-8-6-22-4-5-23(8)16-12(19)14(21)11-15(13(16)20)24(9-2-3-9)7-10(17(11)25)18(26)27/h7-9,22H,2-6,21H2,1H3,(H,26,27)