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

Systemtic Name: tert-butyl 3-[2-cyano-4-fluoranyl-3-(oxidanylidenemethylidene)pyrrolidin-1-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 3-[2-cyano-4-fluoro-3-(oxomethylene)pyrrolidin-1-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 3-[2-cyano-4-fluoro-3-(oxomethylidene)-1-pyrrolidinyl]-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]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 3-[2-cyano-4-fluoro-3-(ketomethylene)pyrrolidino]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C20H22FN3O3 MolecularWeight: 371.405383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22FN3O3/c1-20(2,3)27-19(26)24-10-14-7-5-4-6-13(14)8-18(24)23-11-16(21)15(12-25)17(23)9-22/h4-7,16-18H,8,10-11H2,1-3H3