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

Systemtic Name: ethyl (8R,8aR)-6-azanylidene-5,7,7-tricyano-8-propan-2-yl-3,5,8,8a-tetrahydro-1H-isoquinoline-2-carboxylate Openeye Name: ethyl (8R,8aR)-5,7,7-tricyano-6-imino-8-isopropyl-3,5,8,8a-tetrahydro-1H-isoquinoline-2-carboxylate CAS Name: (8R,8aR)-5,7,7-tricyano-6-imino-8-propan-2-yl-3,5,8,8a-tetrahydro-1H-isoquinoline-2-carboxylic acid ethyl ester IUPAC Name: ethyl (8R,8aR)-5,7,7-tricyano-6-imino-8-propan-2-yl-3,5,8,8a-tetrahydro-1H-isoquinoline-2-carboxylate Traditional Name: (8R,8aR)-5,7,7-tricyano-6-imino-8-isopropyl-3,5,8,8a-tetrahydro-1H-isoquinoline-2-carboxylic acid ethyl ester Formula: C18H21N5O2 MolecularWeight: 339.39164

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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)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H21N5O2/c1-4-25-17(24)23-6-5-12-13(7-19)16(22)18(9-20,10-21)15(11(2)3)14(12)8-23/h5,11,13-15,22H,4,6,8H2,1-3H3/t13?,14-,15+/m0/s1