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

Systemtic Name: ethyl 6-azanyl-5,7,7-tricyano-8-(3,5-dimethoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate Openeye Name: ethyl 6-amino-5,7,7-tricyano-8-(3,5-dimethoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate CAS Name: 6-amino-5,7,7-tricyano-8-(3,5-dimethoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-5,7,7-tricyano-8-(3,5-dimethoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate Traditional Name: 6-amino-5,7,7-tricyano-8-(3,5-dimethoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid ethyl ester Formula: C23H23N5O4 MolecularWeight: 433.45982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N5O4/c1-4-32-22(29)28-6-5-17-18(10-24)21(27)23(12-25,13-26)20(19(17)11-28)14-7-15(30-2)9-16(8-14)31-3/h5,7-9,19-20H,4,6,11,27H2,1-3H3