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

Systemtic Name: [1-[2,4-bis(fluoranyl)phenyl]-6,8-bis(fluoranyl)-7-[4-(methylamino)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-4-oxidanylidene-quinolin-3-yl] hydrogen carbonate Openeye Name: [1-(2,4-difluorophenyl)-6,8-difluoro-7-[4-(methylamino)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-4-oxo-3-quinolyl] hydrogen carbonate CAS Name: carbonic acid [1-(2,4-difluorophenyl)-6,8-difluoro-7-[4-(methylamino)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-4-oxo-3-quinolinyl] ester IUPAC Name: [1-(2,4-difluorophenyl)-6,8-difluoro-7-[4-(methylamino)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-4-oxoquinolin-3-yl] hydrogen carbonate Traditional Name: carbonic acid [1-(2,4-difluorophenyl)-6,8-difluoro-4-keto-7-[4-(methylamino)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-3-quinolyl] ester Formula: C25H21F4N3O4 MolecularWeight: 503.445553

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Descriptors Computed from Structure

Canonical SMILES:

CNC1C=CCC2C1CN(C2)C3=C(C=C4C(=C3F)N(C=C(C4=O)OC(=O)O)C5=C(C=C(C=C5)F)F)F

Isomeric SMILES

CNC1C=CCC2C1CN(C2)C3=C(C=C4C(=C3F)N(C=C(C4=O)OC(=O)O)C5=C(C=C(C=C5)F)F)F

InChI

InChI=1S/C25H21F4N3O4/c1-30-18-4-2-3-12-9-31(10-15(12)18)23-17(28)8-14-22(21(23)29)32(11-20(24(14)33)36-25(34)35)19-6-5-13(26)7-16(19)27/h2,4-8,11-12,15,18,30H,3,9-10H2,1H3,(H,34,35)