1-(2,2-dimethylcyclopropyl)-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid

Systemtic Name: 1-(2,2-dimethylcyclopropyl)-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 1-(2,2-dimethylcyclopropyl)-6-fluoro-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid CAS Name: 1-(2,2-dimethylcyclopropyl)-6-fluoro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 1-(2,2-dimethylcyclopropyl)-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 1-(2,2-dimethylcyclopropyl)-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:

CC1(CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O)C

Isomeric SMILES

CC1(CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O)C

InChI

InChI=1S/C19H22FN3O3/c1-19(2)9-16(19)23-10-12(18(25)26)17(24)11-7-13(20)15(8-14(11)23)22-5-3-21-4-6-22/h7-8,10,16,21H,3-6,9H2,1-2H3,(H,25,26)