ethyl (8R,8aS)-6-azanyl-5,7,7-tricyano-8-pyridin-4-yl-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate

Systemtic Name: ethyl (8R,8aS)-6-azanyl-5,7,7-tricyano-8-pyridin-4-yl-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate Openeye Name: ethyl (8R,8aS)-6-amino-5,7,7-tricyano-8-(4-pyridyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate CAS Name: (8R,8aS)-6-amino-5,7,7-tricyano-8-pyridin-4-yl-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid ethyl ester IUPAC Name: ethyl (8R,8aS)-6-amino-5,7,7-tricyano-8-pyridin-4-yl-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate Traditional Name: (8R,8aS)-6-amino-5,7,7-tricyano-8-(4-pyridyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid ethyl ester Formula: C20H18N6O2 MolecularWeight: 374.39592

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC=NC=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H18N6O2/c1-2-28-19(27)26-8-5-14-15(9-21)18(24)20(11-22,12-23)17(16(14)10-26)13-3-6-25-7-4-13/h3-7,16-17H,2,8,10,24H2,1H3/t16-,17+/m1/s1