diethyl 6-azanyl-5,7-dicyano-8-(3,4-dimethylphenyl)-1,3,8,8a-tetrahydroisoquinoline-2,7-dicarboxylate

Systemtic Name: diethyl 6-azanyl-5,7-dicyano-8-(3,4-dimethylphenyl)-1,3,8,8a-tetrahydroisoquinoline-2,7-dicarboxylate Openeye Name: diethyl 6-amino-5,7-dicyano-8-(3,4-dimethylphenyl)-1,3,8,8a-tetrahydroisoquinoline-2,7-dicarboxylate CAS Name: 6-amino-5,7-dicyano-8-(3,4-dimethylphenyl)-1,3,8,8a-tetrahydroisoquinoline-2,7-dicarboxylic acid diethyl ester IUPAC Name: diethyl 6-amino-5,7-dicyano-8-(3,4-dimethylphenyl)-1,3,8,8a-tetrahydroisoquinoline-2,7-dicarboxylate Traditional Name: 6-amino-5,7-dicyano-8-(3,4-dimethylphenyl)-1,3,8,8a-tetrahydroisoquinoline-2,7-dicarboxylic acid diethyl ester Formula: C25H28N4O4 MolecularWeight: 448.51422

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C(C2CN(CC=C2C(=C1N)C#N)C(=O)OCC)C3=CC(=C(C=C3)C)C)C#N

Isomeric SMILES

CCOC(=O)C1(C(C2CN(CC=C2C(=C1N)C#N)C(=O)OCC)C3=CC(=C(C=C3)C)C)C#N

InChI

InChI=1S/C25H28N4O4/c1-5-32-23(30)25(14-27)21(17-8-7-15(3)16(4)11-17)20-13-29(24(31)33-6-2)10-9-18(20)19(12-26)22(25)28/h7-9,11,20-21H,5-6,10,13,28H2,1-4H3