7-(3,5-dimethylpiperazin-1-yl)-1-ethyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-(3,5-dimethylpiperazin-1-yl)-1-ethyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-(3,5-dimethylpiperazin-1-yl)-1-ethyl-6,8-difluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-(3,5-dimethyl-1-piperazinyl)-1-ethyl-6,8-difluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-(3,5-dimethylpiperazin-1-yl)-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(3,5-dimethylpiperazino)-1-ethyl-6,8-difluoro-4-keto-quinoline-3-carboxylic acid Formula: C18H21F2N3O3 MolecularWeight: 365.374446

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C(=C21)F)N3CC(NC(C3)C)C)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C(=C21)F)N3CC(NC(C3)C)C)F)C(=O)O

InChI

InChI=1S/C18H21F2N3O3/c1-4-22-8-12(18(25)26)17(24)11-5-13(19)16(14(20)15(11)22)23-6-9(2)21-10(3)7-23/h5,8-10,21H,4,6-7H2,1-3H3,(H,25,26)