[7-(7a-azanyl-3,3a-dihydro-1H-isoindol-2-yl)-1-cyclopropyl-8-ethynyl-6-fluoranyl-4-oxidanylidene-quinolin-3-yl] hydrogen carbonate

Systemtic Name: [7-(7a-azanyl-3,3a-dihydro-1H-isoindol-2-yl)-1-cyclopropyl-8-ethynyl-6-fluoranyl-4-oxidanylidene-quinolin-3-yl] hydrogen carbonate Openeye Name: [7-(7a-amino-3,3a-dihydro-1H-isoindol-2-yl)-1-cyclopropyl-8-ethynyl-6-fluoro-4-oxo-3-quinolyl] hydrogen carbonate CAS Name: carbonic acid [7-(7a-amino-3,3a-dihydro-1H-isoindol-2-yl)-1-cyclopropyl-8-ethynyl-6-fluoro-4-oxo-3-quinolinyl] ester IUPAC Name: [7-(7a-amino-3,3a-dihydro-1H-isoindol-2-yl)-1-cyclopropyl-8-ethynyl-6-fluoro-4-oxoquinolin-3-yl] hydrogen carbonate Traditional Name: carbonic acid [7-(7a-amino-3,3a-dihydro-1H-isoindol-2-yl)-1-cyclopropyl-8-ethynyl-6-fluoro-4-keto-3-quinolyl] ester Formula: C23H20FN3O4 MolecularWeight: 421.421003

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=C2C(=CC(=C1N3CC4C=CC=CC4(C3)N)F)C(=O)C(=CN2C5CC5)OC(=O)O

Isomeric SMILES

C#CC1=C2C(=CC(=C1N3CC4C=CC=CC4(C3)N)F)C(=O)C(=CN2C5CC5)OC(=O)O

InChI

InChI=1S/C23H20FN3O4/c1-2-15-19-16(21(28)18(31-22(29)30)11-27(19)14-6-7-14)9-17(24)20(15)26-10-13-5-3-4-8-23(13,25)12-26/h1,3-5,8-9,11,13-14H,6-7,10,12,25H2,(H,29,30)