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

Systemtic Name: 1-cyclopropyl-7-(4-ethyl-3,5-dimethyl-piperazin-1-yl)-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-7-(4-ethyl-3,5-dimethyl-piperazin-1-yl)-6,8-difluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-7-(4-ethyl-3,5-dimethyl-1-piperazinyl)-6,8-difluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-7-(4-ethyl-3,5-dimethylpiperazin-1-yl)-6,8-difluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-7-(4-ethyl-3,5-dimethyl-piperazino)-6,8-difluoro-4-keto-quinoline-3-carboxylic acid Formula: C21H25F2N3O3 MolecularWeight: 405.438306

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(CN(CC1C)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4CC4)F)C

Isomeric SMILES

CCN1C(CN(CC1C)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4CC4)F)C

InChI

InChI=1S/C21H25F2N3O3/c1-4-25-11(2)8-24(9-12(25)3)19-16(22)7-14-18(17(19)23)26(13-5-6-13)10-15(20(14)27)21(28)29/h7,10-13H,4-6,8-9H2,1-3H3,(H,28,29)