tert-butyl (8aS)-5-azanyl-7,7,8-tricyano-6-pyridin-3-yl-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate

Systemtic Name: tert-butyl (8aS)-5-azanyl-7,7,8-tricyano-6-pyridin-3-yl-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate Openeye Name: tert-butyl (8aS)-5-amino-7,7,8-tricyano-6-(3-pyridyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate CAS Name: (8aS)-5-amino-7,7,8-tricyano-6-(3-pyridinyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (8aS)-5-amino-7,7,8-tricyano-6-pyridin-3-yl-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate Traditional Name: (8aS)-5-amino-7,7,8-tricyano-6-(3-pyridyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid tert-butyl ester Formula: C22H22N6O2 MolecularWeight: 402.44908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC=C2C(C1)C(C(C(=C2N)C3=CN=CC=C3)(C#N)C#N)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1CC=C2[C@@H](C1)C(C(C(=C2N)C3=CN=CC=C3)(C#N)C#N)C#N

InChI

InChI=1S/C22H22N6O2/c1-21(2,3)30-20(29)28-8-6-15-16(11-28)17(9-23)22(12-24,13-25)18(19(15)26)14-5-4-7-27-10-14/h4-7,10,16-17H,8,11,26H2,1-3H3/t16-,17?/m1/s1