1-(3-bicyclo[1.1.1]pentanyl)-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid

Systemtic Name: 1-(3-bicyclo[1.1.1]pentanyl)-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 1-(3-bicyclo[1.1.1]pentanyl)-6-fluoro-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid CAS Name: 1-(3-bicyclo[1.1.1]pentanyl)-6-fluoro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 1-(3-bicyclo[1.1.1]pentanyl)-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 1-(3-bicyclo[1.1.1]pentanyl)-6-fluoro-4-keto-7-piperazino-quinoline-3-carboxylic acid Formula: C19H20FN3O3 MolecularWeight: 357.378803

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C45CC(C4)C5)F

Isomeric SMILES

C1CN(CCN1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C45CC(C4)C5)F

InChI

InChI=1S/C19H20FN3O3/c20-14-5-12-15(6-16(14)22-3-1-21-2-4-22)23(19-7-11(8-19)9-19)10-13(17(12)24)18(25)26/h5-6,10-11,21H,1-4,7-9H2,(H,25,26)