[8-chloranyl-1-cyclopropyl-6-fluoranyl-7-[4-(methylamino)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-4-oxidanylidene-quinolin-3-yl] hydrogen carbonate

Systemtic Name: [8-chloranyl-1-cyclopropyl-6-fluoranyl-7-[4-(methylamino)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-4-oxidanylidene-quinolin-3-yl] hydrogen carbonate Openeye Name: [8-chloro-1-cyclopropyl-6-fluoro-7-[4-(methylamino)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-4-oxo-3-quinolyl] hydrogen carbonate CAS Name: carbonic acid [8-chloro-1-cyclopropyl-6-fluoro-7-[4-(methylamino)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-4-oxo-3-quinolinyl] ester IUPAC Name: [8-chloro-1-cyclopropyl-6-fluoro-7-[4-(methylamino)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-4-oxoquinolin-3-yl] hydrogen carbonate Traditional Name: carbonic acid [8-chloro-1-cyclopropyl-6-fluoro-4-keto-7-[4-(methylamino)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-3-quinolyl] ester Formula: C22H23ClFN3O4 MolecularWeight: 447.887123

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1C=CCC2C1CN(C2)C3=C(C=C4C(=C3Cl)N(C=C(C4=O)OC(=O)O)C5CC5)F

Isomeric SMILES

CNC1C=CCC2C1CN(C2)C3=C(C=C4C(=C3Cl)N(C=C(C4=O)OC(=O)O)C5CC5)F

InChI

InChI=1S/C22H23ClFN3O4/c1-25-16-4-2-3-11-8-26(9-14(11)16)20-15(24)7-13-19(18(20)23)27(12-5-6-12)10-17(21(13)28)31-22(29)30/h2,4,7,10-12,14,16,25H,3,5-6,8-9H2,1H3,(H,29,30)