tert-butyl 6-azanyl-5,7-dicyano-8-(2-fluorophenyl)-3,8a-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 6-azanyl-5,7-dicyano-8-(2-fluorophenyl)-3,8a-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 6-amino-5,7-dicyano-8-(2-fluorophenyl)-3,8a-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 6-amino-5,7-dicyano-8-(2-fluorophenyl)-3,8a-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-amino-5,7-dicyano-8-(2-fluorophenyl)-3,8a-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 6-amino-5,7-dicyano-8-(2-fluorophenyl)-3,8a-dihydro-1H-isoquinoline-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(=C2C#N)N)C#N)C3=CC=CC=C3F

Isomeric SMILES

CC(C)(C)OC(=O)N1CC=C2C(C1)C(=C(C(=C2C#N)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/h4-8,17H,9,12,26H2,1-3H3