tert-butyl 3-[2-cyano-4-fluoranyl-3-(oxidanylidenemethylidene)pyrrolidin-1-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 3-[2-cyano-4-fluoranyl-3-(oxidanylidenemethylidene)pyrrolidin-1-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 3-[2-cyano-4-fluoro-3-(oxomethylene)pyrrolidin-1-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 3-[2-cyano-4-fluoro-3-(oxomethylidene)-1-pyrrolidinyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[2-cyano-4-fluoro-3-(oxomethylidene)pyrrolidin-1-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 3-[2-cyano-4-fluoro-3-(ketomethylene)pyrrolidino]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C22H26FN3O5 MolecularWeight: 431.457343

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2=CC(=C(C=C2CC1N3CC(C(=C=O)C3C#N)F)OC)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2=CC(=C(C=C2CC1N3CC(C(=C=O)C3C#N)F)OC)OC

InChI

InChI=1S/C22H26FN3O5/c1-22(2,3)31-21(28)26-10-14-7-19(30-5)18(29-4)6-13(14)8-20(26)25-11-16(23)15(12-27)17(25)9-24/h6-7,16-17,20H,8,10-11H2,1-5H3