sodium 8-cyano-1-cyclopropyl-7-(3,10-diazaspiro[4.5]decan-3-yl)-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: sodium 8-cyano-1-cyclopropyl-7-(3,10-diazaspiro[4.5]decan-3-yl)-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: sodium 8-cyano-1-cyclopropyl-7-(3,10-diazaspiro[4.5]decan-3-yl)-6-fluoro-4-oxo-quinoline-3-carboxylate CAS Name: sodium 8-cyano-1-cyclopropyl-7-(3,10-diazaspiro[4.5]decan-3-yl)-6-fluoro-4-oxo-3-quinolinecarboxylate IUPAC Name: sodium 8-cyano-1-cyclopropyl-7-(3,10-diazaspiro[4.5]decan-3-yl)-6-fluoro-4-oxoquinoline-3-carboxylate Traditional Name: sodium 8-cyano-1-cyclopropyl-7-(3,10-diazaspiro[4.5]decan-3-yl)-6-fluoro-4-keto-quinoline-3-carboxylate Formula: C22H22FN4NaO3 MolecularWeight: 432.423253

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC2(C1)CCN(C2)C3=C(C=C4C(=C3C#N)N(C=C(C4=O)C(=O)[O-])C5CC5)F.[Na+]

Isomeric SMILES

C1CCNC2(C1)CCN(C2)C3=C(C=C4C(=C3C#N)N(C=C(C4=O)C(=O)[O-])C5CC5)F.[Na+]

InChI

InChI=1S/C22H23FN4O3.Na/c23-17-9-14-18(27(13-3-4-13)11-16(20(14)28)21(29)30)15(10-24)19(17)26-8-6-22(12-26)5-1-2-7-25-22;/h9,11,13,25H,1-8,12H2,(H,29,30);/q;+1/p-1