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

Systemtic Name: diethyl 6-azanyl-8-(3-chlorophenyl)-5,7-dicyano-1,3,8,8a-tetrahydroisoquinoline-2,7-dicarboxylate Openeye Name: diethyl 6-amino-8-(3-chlorophenyl)-5,7-dicyano-1,3,8,8a-tetrahydroisoquinoline-2,7-dicarboxylate CAS Name: 6-amino-8-(3-chlorophenyl)-5,7-dicyano-1,3,8,8a-tetrahydroisoquinoline-2,7-dicarboxylic acid diethyl ester IUPAC Name: diethyl 6-amino-8-(3-chlorophenyl)-5,7-dicyano-1,3,8,8a-tetrahydroisoquinoline-2,7-dicarboxylate Traditional Name: 6-amino-8-(3-chlorophenyl)-5,7-dicyano-1,3,8,8a-tetrahydroisoquinoline-2,7-dicarboxylic acid diethyl ester Formula: C23H23ClN4O4 MolecularWeight: 454.90612

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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(=CC=C3)Cl)C#N

Isomeric SMILES

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

InChI

InChI=1S/C23H23ClN4O4/c1-3-31-21(29)23(13-26)19(14-6-5-7-15(24)10-14)18-12-28(22(30)32-4-2)9-8-16(18)17(11-25)20(23)27/h5-8,10,18-19H,3-4,9,12,27H2,1-2H3