8-cyano-1-cyclopropyl-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 8-cyano-1-cyclopropyl-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 8-cyano-1-cyclopropyl-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 8-cyano-1-cyclopropyl-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 8-cyano-1-cyclopropyl-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 8-cyano-1-cyclopropyl-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C20H19FN4O3 MolecularWeight: 382.388263

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)C#N)N4CC5CCC(C4)N5)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)C#N)N4CC5CCC(C4)N5)F)C(=O)O

InChI

InChI=1S/C20H19FN4O3/c21-16-5-13-17(25(12-3-4-12)9-15(19(13)26)20(27)28)14(6-22)18(16)24-7-10-1-2-11(8-24)23-10/h5,9-12,23H,1-4,7-8H2,(H,27,28)