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

Systemtic Name: 1-cyclopropyl-7-(3-ethynylpiperazin-1-yl)-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-7-(3-ethynylpiperazin-1-yl)-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-7-(3-ethynyl-1-piperazinyl)-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-7-(3-ethynylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-7-(3-ethynylpiperazino)-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C19H18FN3O3 MolecularWeight: 355.362923

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1CN(CCN1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F

Isomeric SMILES

C#CC1CN(CCN1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F

InChI

InChI=1S/C19H18FN3O3/c1-2-11-9-22(6-5-21-11)17-8-16-13(7-15(17)20)18(24)14(19(25)26)10-23(16)12-3-4-12/h1,7-8,10-12,21H,3-6,9H2,(H,25,26)