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

Systemtic Name: 1-cyclopropyl-5-(2-dimethylaminoethylamino)-6,8-bis(fluoranyl)-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-5-(2-dimethylaminoethylamino)-6,8-difluoro-7-(4-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-5-(2-dimethylaminoethylamino)-6,8-difluoro-7-(4-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-5-(2-dimethylaminoethylamino)-6,8-difluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-5-(2-dimethylaminoethylamino)-6,8-difluoro-4-keto-7-(4-methylpiperazino)quinoline-3-carboxylic acid Formula: C22H29F2N5O3 MolecularWeight: 449.494166

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C3=C(C(=C2F)NCCN(C)C)C(=O)C(=CN3C4CC4)C(=O)O)F

Isomeric SMILES

CN1CCN(CC1)C2=C(C3=C(C(=C2F)NCCN(C)C)C(=O)C(=CN3C4CC4)C(=O)O)F

InChI

InChI=1S/C22H29F2N5O3/c1-26(2)7-6-25-18-15-19(29(13-4-5-13)12-14(21(15)30)22(31)32)17(24)20(16(18)23)28-10-8-27(3)9-11-28/h12-13,25H,4-11H2,1-3H3,(H,31,32)