7-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-ethyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C17H18FN3O3 MolecularWeight: 331.341523

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CC4CC3CN4)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3C[C@@H]4C[C@H]3CN4)F)C(=O)O

InChI

InChI=1S/C17H18FN3O3/c1-2-20-8-12(17(23)24)16(22)11-4-13(18)15(5-14(11)20)21-7-9-3-10(21)6-19-9/h4-5,8-10,19H,2-3,6-7H2,1H3,(H,23,24)/t9-,10-/m0/s1