ethyl (7R,8R,8aR)-6-azanylidene-5,5,7-tricyano-8-pyridin-4-yl-3,7,8,8a-tetrahydro-1H-isoquinoline-2-carboxylate

Systemtic Name: ethyl (7R,8R,8aR)-6-azanylidene-5,5,7-tricyano-8-pyridin-4-yl-3,7,8,8a-tetrahydro-1H-isoquinoline-2-carboxylate Openeye Name: ethyl (7R,8R,8aR)-5,5,7-tricyano-6-imino-8-(4-pyridyl)-3,7,8,8a-tetrahydro-1H-isoquinoline-2-carboxylate CAS Name: (7R,8R,8aR)-5,5,7-tricyano-6-imino-8-pyridin-4-yl-3,7,8,8a-tetrahydro-1H-isoquinoline-2-carboxylic acid ethyl ester IUPAC Name: ethyl (7R,8R,8aR)-5,5,7-tricyano-6-imino-8-pyridin-4-yl-3,7,8,8a-tetrahydro-1H-isoquinoline-2-carboxylate Traditional Name: (7R,8R,8aR)-5,5,7-tricyano-6-imino-8-(4-pyridyl)-3,7,8,8a-tetrahydro-1H-isoquinoline-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(=N)C2(C#N)C#N)C#N)C3=CC=NC=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H18N6O2/c1-2-28-19(27)26-8-5-16-15(10-26)17(13-3-6-25-7-4-13)14(9-21)18(24)20(16,11-22)12-23/h3-7,14-15,17,24H,2,8,10H2,1H3/t14-,15+,17+/m1/s1