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

Systemtic Name: ethyl 6-azanyl-5,7,7-tricyano-8-(2-ethoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate Openeye Name: ethyl 6-amino-5,7,7-tricyano-8-(2-ethoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate CAS Name: 6-amino-5,7,7-tricyano-8-(2-ethoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-5,7,7-tricyano-8-(2-ethoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate Traditional Name: 6-amino-5,7,7-tricyano-8-o-phenetyl-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid ethyl ester Formula: C23H23N5O3 MolecularWeight: 417.46042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2C3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)C(=O)OCC

Isomeric SMILES

CCOC1=CC=CC=C1C2C3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)C(=O)OCC

InChI

InChI=1S/C23H23N5O3/c1-3-30-19-8-6-5-7-16(19)20-18-12-28(22(29)31-4-2)10-9-15(18)17(11-24)21(27)23(20,13-25)14-26/h5-9,18,20H,3-4,10,12,27H2,1-2H3