tert-butyl 5-azanyl-6,7,7-tricyano-8-(4-methoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC=C2C(C1)C(C(C(=C2N)C#N)(C#N)C#N)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CC=C2C(C1)C(C(C(=C2N)C#N)(C#N)C#N)C3=CC=C(C=C3)OC

InChI

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