[1-cyclopropyl-6-fluoranyl-7-[7-methyl-4-(methylamino)-1,3,3a,4,5,7a-hexahydroisoindol-2-yl]-4-oxidanylidene-quinolin-3-yl] hydrogen carbonate

Systemtic Name: [1-cyclopropyl-6-fluoranyl-7-[7-methyl-4-(methylamino)-1,3,3a,4,5,7a-hexahydroisoindol-2-yl]-4-oxidanylidene-quinolin-3-yl] hydrogen carbonate Openeye Name: [1-cyclopropyl-6-fluoro-7-[7-methyl-4-(methylamino)-1,3,3a,4,5,7a-hexahydroisoindol-2-yl]-4-oxo-3-quinolyl] hydrogen carbonate CAS Name: carbonic acid [1-cyclopropyl-6-fluoro-7-[7-methyl-4-(methylamino)-1,3,3a,4,5,7a-hexahydroisoindol-2-yl]-4-oxo-3-quinolinyl] ester IUPAC Name: [1-cyclopropyl-6-fluoro-7-[7-methyl-4-(methylamino)-1,3,3a,4,5,7a-hexahydroisoindol-2-yl]-4-oxoquinolin-3-yl] hydrogen carbonate Traditional Name: carbonic acid [1-cyclopropyl-6-fluoro-4-keto-7-[7-methyl-4-(methylamino)-1,3,3a,4,5,7a-hexahydroisoindol-2-yl]-3-quinolyl] ester Formula: C23H26FN3O4 MolecularWeight: 427.468643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC(C2C1CN(C2)C3=C(C=C4C(=C3)N(C=C(C4=O)OC(=O)O)C5CC5)F)NC

Isomeric SMILES

CC1=CCC(C2C1CN(C2)C3=C(C=C4C(=C3)N(C=C(C4=O)OC(=O)O)C5CC5)F)NC

InChI

InChI=1S/C23H26FN3O4/c1-12-3-6-18(25-2)16-10-26(9-15(12)16)20-8-19-14(7-17(20)24)22(28)21(31-23(29)30)11-27(19)13-4-5-13/h3,7-8,11,13,15-16,18,25H,4-6,9-10H2,1-2H3,(H,29,30)