1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[3-(3,4,5-trimethoxyphenyl)piperazin-1-yl]quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[3-(3,4,5-trimethoxyphenyl)piperazin-1-yl]quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-4-oxo-7-[3-(3,4,5-trimethoxyphenyl)piperazin-1-yl]quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-4-oxo-7-[3-(3,4,5-trimethoxyphenyl)-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-4-oxo-7-[3-(3,4,5-trimethoxyphenyl)piperazin-1-yl]quinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-7-[3-(3,4,5-trimethoxyphenyl)piperazino]quinoline-3-carboxylic acid Formula: C26H28FN3O6 MolecularWeight: 497.515423

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2CN(CCN2)C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C5CC5)F

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2CN(CCN2)C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C5CC5)F

InChI

InChI=1S/C26H28FN3O6/c1-34-22-8-14(9-23(35-2)25(22)36-3)19-13-29(7-6-28-19)21-11-20-16(10-18(21)27)24(31)17(26(32)33)12-30(20)15-4-5-15/h8-12,15,19,28H,4-7,13H2,1-3H3,(H,32,33)