ethyl 6-azanyl-5,7,7-tricyano-8-cyclohex-2-en-1-yl-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate

Systemtic Name: ethyl 6-azanyl-5,7,7-tricyano-8-cyclohex-2-en-1-yl-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate Openeye Name: ethyl 6-amino-5,7,7-tricyano-8-cyclohex-2-en-1-yl-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate CAS Name: 6-amino-5,7,7-tricyano-8-(1-cyclohex-2-enyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-5,7,7-tricyano-8-cyclohex-2-en-1-yl-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate Traditional Name: 6-amino-5,7,7-tricyano-8-cyclohex-2-en-1-yl-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid ethyl ester Formula: C21H23N5O2 MolecularWeight: 377.43962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3CCCC=C3

Isomeric SMILES

CCOC(=O)N1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3CCCC=C3

InChI

InChI=1S/C21H23N5O2/c1-2-28-20(27)26-9-8-15-16(10-22)19(25)21(12-23,13-24)18(17(15)11-26)14-6-4-3-5-7-14/h4,6,8,14,17-18H,2-3,5,7,9,11,25H2,1H3