ethyl (8S,8aR)-6-azanyl-5,7,7-tricyano-8-ethyl-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate

Systemtic Name: ethyl (8S,8aR)-6-azanyl-5,7,7-tricyano-8-ethyl-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate Openeye Name: ethyl (8S,8aR)-6-amino-5,7,7-tricyano-8-ethyl-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate CAS Name: (8S,8aR)-6-amino-5,7,7-tricyano-8-ethyl-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid ethyl ester IUPAC Name: ethyl (8S,8aR)-6-amino-5,7,7-tricyano-8-ethyl-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate Traditional Name: (8S,8aR)-6-amino-5,7,7-tricyano-8-ethyl-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid ethyl ester Formula: C17H19N5O2 MolecularWeight: 325.36506

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2CN(CC=C2C(=C(C1(C#N)C#N)N)C#N)C(=O)OCC

Isomeric SMILES

CC[C@H]1[C@H]2CN(CC=C2C(=C(C1(C#N)C#N)N)C#N)C(=O)OCC

InChI

InChI=1S/C17H19N5O2/c1-3-14-13-8-22(16(23)24-4-2)6-5-11(13)12(7-18)15(21)17(14,9-19)10-20/h5,13-14H,3-4,6,8,21H2,1-2H3/t13-,14-/m0/s1