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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=C(C(=C(C(=C21)F)N3CCNC(C3)C)F)C)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=C(C(=C(C(=C21)F)N3CCNC(C3)C)F)C)C(=O)O

InChI

InChI=1S/C18H21F2N3O3/c1-4-22-8-11(18(25)26)17(24)12-10(3)13(19)16(14(20)15(12)22)23-6-5-21-9(2)7-23/h8-9,21H,4-7H2,1-3H3,(H,25,26)