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

Systemtic Name: ethyl (8R,8aR)-6-azanylidene-5,7,7-tricyano-8-phenethyl-3,5,8,8a-tetrahydro-1H-isoquinoline-2-carboxylate Openeye Name: ethyl (8R,8aR)-5,7,7-tricyano-6-imino-8-phenethyl-3,5,8,8a-tetrahydro-1H-isoquinoline-2-carboxylate CAS Name: (8R,8aR)-5,7,7-tricyano-6-imino-8-phenethyl-3,5,8,8a-tetrahydro-1H-isoquinoline-2-carboxylic acid ethyl ester IUPAC Name: ethyl (8R,8aR)-5,7,7-tricyano-6-imino-8-phenethyl-3,5,8,8a-tetrahydro-1H-isoquinoline-2-carboxylate Traditional Name: (8R,8aR)-5,7,7-tricyano-6-imino-8-phenethyl-3,5,8,8a-tetrahydro-1H-isoquinoline-2-carboxylic acid ethyl ester Formula: C23H23N5O2 MolecularWeight: 401.46102

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC=C2C(C1)C(C(C(=N)C2C#N)(C#N)C#N)CCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N1CC=C2[C@H](C1)[C@H](C(C(=N)C2C#N)(C#N)C#N)CCC3=CC=CC=C3

InChI

InChI=1S/C23H23N5O2/c1-2-30-22(29)28-11-10-17-18(12-24)21(27)23(14-25,15-26)20(19(17)13-28)9-8-16-6-4-3-5-7-16/h3-7,10,18-20,27H,2,8-9,11,13H2,1H3/t18?,19-,20+/m0/s1