1-cyclopropyl-5-ethyl-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-5-ethyl-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-5-ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-5-ethyl-6-fluoro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-5-ethyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-5-ethyl-6-fluoro-4-keto-7-piperazino-quinoline-3-carboxylic acid Formula: C19H22FN3O3 MolecularWeight: 359.394683

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC(=C1F)N3CCNCC3)N(C=C(C2=O)C(=O)O)C4CC4

Isomeric SMILES

CCC1=C2C(=CC(=C1F)N3CCNCC3)N(C=C(C2=O)C(=O)O)C4CC4

InChI

InChI=1S/C19H22FN3O3/c1-2-12-16-14(9-15(17(12)20)22-7-5-21-6-8-22)23(11-3-4-11)10-13(18(16)24)19(25)26/h9-11,21H,2-8H2,1H3,(H,25,26)