1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-(4-propanoylpiperazin-1-yl)quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-(4-propanoylpiperazin-1-yl)quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-4-oxo-7-(4-propanoylpiperazin-1-yl)quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-4-oxo-7-[4-(1-oxopropyl)-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-4-oxo-7-(4-propanoylpiperazin-1-yl)quinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-7-(4-propionylpiperazino)quinoline-3-carboxylic acid Formula: C20H22FN3O4 MolecularWeight: 387.404783

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F

InChI

InChI=1S/C20H22FN3O4/c1-2-18(25)23-7-5-22(6-8-23)17-10-16-13(9-15(17)21)19(26)14(20(27)28)11-24(16)12-3-4-12/h9-12H,2-8H2,1H3,(H,27,28)