ethyl (8R)-6-azanyl-5,7,7-tricyano-8-(4-propan-2-yloxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate

Systemtic Name: ethyl (8R)-6-azanyl-5,7,7-tricyano-8-(4-propan-2-yloxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate Openeye Name: ethyl (8R)-6-amino-5,7,7-tricyano-8-(4-isopropoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate CAS Name: (8R)-6-amino-5,7,7-tricyano-8-(4-propan-2-yloxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid ethyl ester IUPAC Name: ethyl (8R)-6-amino-5,7,7-tricyano-8-(4-propan-2-yloxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate Traditional Name: (8R)-6-amino-5,7,7-tricyano-8-(4-isopropoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid ethyl ester Formula: C24H25N5O3 MolecularWeight: 431.487

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)C3=CC=C(C=C3)OC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C24H25N5O3/c1-4-31-23(30)29-10-9-18-19(11-25)22(28)24(13-26,14-27)21(20(18)12-29)16-5-7-17(8-6-16)32-15(2)3/h5-9,15,20-21H,4,10,12,28H2,1-3H3/t20?,21-/m0/s1