8-chloranyl-1-cyclopropyl-7-[3-(3,4-dimethoxyphenyl)piperazin-1-yl]-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 8-chloranyl-1-cyclopropyl-7-[3-(3,4-dimethoxyphenyl)piperazin-1-yl]-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 8-chloro-1-cyclopropyl-7-[3-(3,4-dimethoxyphenyl)piperazin-1-yl]-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 8-chloro-1-cyclopropyl-7-[3-(3,4-dimethoxyphenyl)-1-piperazinyl]-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 8-chloro-1-cyclopropyl-7-[3-(3,4-dimethoxyphenyl)piperazin-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 8-chloro-1-cyclopropyl-7-[3-(3,4-dimethoxyphenyl)piperazino]-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C25H25ClFN3O5 MolecularWeight: 501.934503

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CN(CCN2)C3=C(C=C4C(=C3Cl)N(C=C(C4=O)C(=O)O)C5CC5)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2CN(CCN2)C3=C(C=C4C(=C3Cl)N(C=C(C4=O)C(=O)O)C5CC5)F)OC

InChI

InChI=1S/C25H25ClFN3O5/c1-34-19-6-3-13(9-20(19)35-2)18-12-29(8-7-28-18)23-17(27)10-15-22(21(23)26)30(14-4-5-14)11-16(24(15)31)25(32)33/h3,6,9-11,14,18,28H,4-5,7-8,12H2,1-2H3,(H,32,33)