tert-butyl (8aR)-6-azanylidene-5,7-dicyano-8-(2-fluorophenyl)-1,3,5,8a-tetrahydroisoquinoline-2-carboxylate

Systemtic Name: tert-butyl (8aR)-6-azanylidene-5,7-dicyano-8-(2-fluorophenyl)-1,3,5,8a-tetrahydroisoquinoline-2-carboxylate Openeye Name: tert-butyl (8aR)-5,7-dicyano-8-(2-fluorophenyl)-6-imino-1,3,5,8a-tetrahydroisoquinoline-2-carboxylate CAS Name: (8aR)-5,7-dicyano-8-(2-fluorophenyl)-6-imino-1,3,5,8a-tetrahydroisoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (8aR)-5,7-dicyano-8-(2-fluorophenyl)-6-imino-1,3,5,8a-tetrahydroisoquinoline-2-carboxylate Traditional Name: (8aR)-5,7-dicyano-8-(2-fluorophenyl)-6-imino-1,3,5,8a-tetrahydroisoquinoline-2-carboxylic acid tert-butyl ester Formula: C22H21FN4O2 MolecularWeight: 392.426143

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC=C2C(C1)C(=C(C(=N)C2C#N)C#N)C3=CC=CC=C3F

Isomeric SMILES

CC(C)(C)OC(=O)N1CC=C2[C@@H](C1)C(=C(C(=N)C2C#N)C#N)C3=CC=CC=C3F

InChI

InChI=1S/C22H21FN4O2/c1-22(2,3)29-21(28)27-9-8-13-15(10-24)20(26)16(11-25)19(17(13)12-27)14-6-4-5-7-18(14)23/h4-8,15,17,26H,9,12H2,1-3H3/t15?,17-/m1/s1