8-chloranyl-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-(4-prop-2-ynylpiperazin-1-yl)quinoline-3-carboxylic acid

Systemtic Name: 8-chloranyl-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-(4-prop-2-ynylpiperazin-1-yl)quinoline-3-carboxylic acid Openeye Name: 8-chloro-1-cyclopropyl-6-fluoro-4-oxo-7-(4-prop-2-ynylpiperazin-1-yl)quinoline-3-carboxylic acid CAS Name: 8-chloro-1-cyclopropyl-6-fluoro-4-oxo-7-(4-prop-2-ynyl-1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 8-chloro-1-cyclopropyl-6-fluoro-4-oxo-7-(4-prop-2-ynylpiperazin-1-yl)quinoline-3-carboxylic acid Traditional Name: 8-chloro-1-cyclopropyl-6-fluoro-4-keto-7-(4-propargylpiperazino)quinoline-3-carboxylic acid Formula: C20H19ClFN3O3 MolecularWeight: 403.834563

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1CCN(CC1)C2=C(C=C3C(=C2Cl)N(C=C(C3=O)C(=O)O)C4CC4)F

Isomeric SMILES

C#CCN1CCN(CC1)C2=C(C=C3C(=C2Cl)N(C=C(C3=O)C(=O)O)C4CC4)F

InChI

InChI=1S/C20H19ClFN3O3/c1-2-5-23-6-8-24(9-7-23)18-15(22)10-13-17(16(18)21)25(12-3-4-12)11-14(19(13)26)20(27)28/h1,10-12H,3-9H2,(H,27,28)