6,8-bis(fluoranyl)-3,5-dimethyl-4-oxidanylidene-1-piperazin-1-yl-2H-quinoline-3-carboxylic acid

Systemtic Name: 6,8-bis(fluoranyl)-3,5-dimethyl-4-oxidanylidene-1-piperazin-1-yl-2H-quinoline-3-carboxylic acid Openeye Name: 6,8-difluoro-3,5-dimethyl-4-oxo-1-piperazin-1-yl-2H-quinoline-3-carboxylic acid CAS Name: 6,8-difluoro-3,5-dimethyl-4-oxo-1-(1-piperazinyl)-2H-quinoline-3-carboxylic acid IUPAC Name: 6,8-difluoro-3,5-dimethyl-4-oxo-1-piperazin-1-yl-2H-quinoline-3-carboxylic acid Traditional Name: 6,8-difluoro-4-keto-3,5-dimethyl-1-piperazino-2H-quinoline-3-carboxylic acid Formula: C16H19F2N3O3 MolecularWeight: 339.337166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1F)F)N(CC(C2=O)(C)C(=O)O)N3CCNCC3

Isomeric SMILES

CC1=C2C(=C(C=C1F)F)N(CC(C2=O)(C)C(=O)O)N3CCNCC3

InChI

InChI=1S/C16H19F2N3O3/c1-9-10(17)7-11(18)13-12(9)14(22)16(2,15(23)24)8-21(13)20-5-3-19-4-6-20/h7,19H,3-6,8H2,1-2H3,(H,23,24)