1-cyclopropyl-6-fluoranyl-7-(3-methyl-4-propanoyl-piperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6-fluoranyl-7-(3-methyl-4-propanoyl-piperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-7-(3-methyl-4-propanoyl-piperazin-1-yl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-7-[3-methyl-4-(1-oxopropyl)-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-7-(3-methyl-4-propanoylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-7-(3-methyl-4-propionyl-piperazino)quinoline-3-carboxylic acid Formula: C21H24FN3O4 MolecularWeight: 401.431363

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1C)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F

Isomeric SMILES

CCC(=O)N1CCN(CC1C)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F

InChI

InChI=1S/C21H24FN3O4/c1-3-19(26)24-7-6-23(10-12(24)2)18-9-17-14(8-16(18)22)20(27)15(21(28)29)11-25(17)13-4-5-13/h8-9,11-13H,3-7,10H2,1-2H3,(H,28,29)