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

Systemtic Name: tert-butyl 3-[2-cyano-4-fluoranyl-3-(oxidanylidenemethylidene)pyrrolidin-1-yl]-7-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 3-[2-cyano-4-fluoro-3-(oxomethylene)pyrrolidin-1-yl]-7-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 3-[2-cyano-4-fluoro-3-(oxomethylidene)-1-pyrrolidinyl]-7-methoxy-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]-7-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 3-[2-cyano-4-fluoro-3-(ketomethylene)pyrrolidino]-7-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C21H24FN3O4 MolecularWeight: 401.431363

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H24FN3O4/c1-21(2,3)29-20(27)25-10-14-7-15(28-4)6-5-13(14)8-19(25)24-11-17(22)16(12-26)18(24)9-23/h5-7,17-19H,8,10-11H2,1-4H3