ethyl 6-azanyl-7,7-dicyano-8-(4-cyano-3-methoxy-phenyl)-5-methoxy-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate

Systemtic Name: ethyl 6-azanyl-7,7-dicyano-8-(4-cyano-3-methoxy-phenyl)-5-methoxy-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate Openeye Name: ethyl 6-amino-7,7-dicyano-8-(4-cyano-3-methoxy-phenyl)-5-methoxy-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate CAS Name: 6-amino-7,7-dicyano-8-(4-cyano-3-methoxyphenyl)-5-methoxy-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-7,7-dicyano-8-(4-cyano-3-methoxyphenyl)-5-methoxy-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate Traditional Name: 6-amino-7,7-dicyano-8-(4-cyano-3-methoxy-phenyl)-5-methoxy-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(=C2OC)N)(C#N)C#N)C3=CC(=C(C=C3)C#N)OC

Isomeric SMILES

CCOC(=O)N1CC=C2C(C1)C(C(C(=C2OC)N)(C#N)C#N)C3=CC(=C(C=C3)C#N)OC

InChI

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