[7-(3-azanylpyrrolidin-1-yl)-1-cyclopropyl-8-ethynyl-6-fluoranyl-4-oxidanylidene-quinolin-3-yl] hydrogen carbonate hydrate

Systemtic Name: [7-(3-azanylpyrrolidin-1-yl)-1-cyclopropyl-8-ethynyl-6-fluoranyl-4-oxidanylidene-quinolin-3-yl] hydrogen carbonate hydrate Openeye Name: [7-(3-aminopyrrolidin-1-yl)-1-cyclopropyl-8-ethynyl-6-fluoro-4-oxo-3-quinolyl] hydrogen carbonate hydrate CAS Name: carbonic acid [7-(3-amino-1-pyrrolidinyl)-1-cyclopropyl-8-ethynyl-6-fluoro-4-oxo-3-quinolinyl] ester hydrate IUPAC Name: [7-(3-aminopyrrolidin-1-yl)-1-cyclopropyl-8-ethynyl-6-fluoro-4-oxoquinolin-3-yl] hydrogen carbonate hydrate Traditional Name: carbonic acid [7-(3-aminopyrrolidino)-1-cyclopropyl-8-ethynyl-6-fluoro-4-keto-3-quinolyl] ester hydrate Formula: C19H20FN3O5 MolecularWeight: 389.377603

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=C2C(=CC(=C1N3CCC(C3)N)F)C(=O)C(=CN2C4CC4)OC(=O)O.O

Isomeric SMILES

C#CC1=C2C(=CC(=C1N3CCC(C3)N)F)C(=O)C(=CN2C4CC4)OC(=O)O.O

InChI

InChI=1S/C19H18FN3O4.H2O/c1-2-12-16-13(7-14(20)17(12)22-6-5-10(21)8-22)18(24)15(27-19(25)26)9-23(16)11-3-4-11;/h1,7,9-11H,3-6,8,21H2,(H,25,26);1H2