1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[3-(oxolan-2-yl)piperazin-1-yl]quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[3-(oxolan-2-yl)piperazin-1-yl]quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-4-oxo-7-(3-tetrahydrofuran-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-4-oxo-7-[3-(2-oxolanyl)-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-4-oxo-7-[3-(oxolan-2-yl)piperazin-1-yl]quinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-7-[3-(tetrahydrofuryl)piperazino]quinoline-3-carboxylic acid Formula: C21H24FN3O4 MolecularWeight: 401.431363

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)C2CN(CCN2)C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C5CC5)F

Isomeric SMILES

C1CC(OC1)C2CN(CCN2)C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C5CC5)F

InChI

InChI=1S/C21H24FN3O4/c22-15-8-13-17(25(12-3-4-12)10-14(20(13)26)21(27)28)9-18(15)24-6-5-23-16(11-24)19-2-1-7-29-19/h8-10,12,16,19,23H,1-7,11H2,(H,27,28)