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

Systemtic Name: tert-butyl 7-(2-azanyl-2-oxidanylidene-ethoxy)-3-[2-cyano-4-fluoranyl-3-(oxidanylidenemethylidene)pyrrolidin-1-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 7-(2-amino-2-oxo-ethoxy)-3-[2-cyano-4-fluoro-3-(oxomethylene)pyrrolidin-1-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 7-(2-amino-2-oxoethoxy)-3-[2-cyano-4-fluoro-3-(oxomethylidene)-1-pyrrolidinyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-(2-amino-2-oxoethoxy)-3-[2-cyano-4-fluoro-3-(oxomethylidene)pyrrolidin-1-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 7-(2-amino-2-keto-ethoxy)-3-[2-cyano-4-fluoro-3-(ketomethylene)pyrrolidino]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C22H25FN4O5 MolecularWeight: 444.456103

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2=C(CC1N3CC(C(=C=O)C3C#N)F)C=CC(=C2)OCC(=O)N

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2=C(CC1N3CC(C(=C=O)C3C#N)F)C=CC(=C2)OCC(=O)N

InChI

InChI=1S/C22H25FN4O5/c1-22(2,3)32-21(30)27-9-14-6-15(31-12-19(25)29)5-4-13(14)7-20(27)26-10-17(23)16(11-28)18(26)8-24/h4-6,17-18,20H,7,9-10,12H2,1-3H3,(H2,25,29)