O2-ethyl O7-methyl 6-azanyl-8-(4-bromophenyl)-5,7-dicyano-1,3,8,8a-tetrahydroisoquinoline-2,7-dicarboxylate

Systemtic Name: O2-ethyl O7-methyl 6-azanyl-8-(4-bromophenyl)-5,7-dicyano-1,3,8,8a-tetrahydroisoquinoline-2,7-dicarboxylate Openeye Name: O2-ethyl O7-methyl 6-amino-8-(4-bromophenyl)-5,7-dicyano-1,3,8,8a-tetrahydroisoquinoline-2,7-dicarboxylate CAS Name: 6-amino-8-(4-bromophenyl)-5,7-dicyano-1,3,8,8a-tetrahydroisoquinoline-2,7-dicarboxylic acid O2-ethyl ester O7-methyl ester IUPAC Name: 2-O-ethyl 7-O-methyl 6-amino-8-(4-bromophenyl)-5,7-dicyano-1,3,8,8a-tetrahydroisoquinoline-2,7-dicarboxylate Traditional Name: 6-amino-8-(4-bromophenyl)-5,7-dicyano-1,3,8,8a-tetrahydroisoquinoline-2,7-dicarboxylic acid O2-ethyl ester O7-methyl ester Formula: C22H21BrN4O4 MolecularWeight: 485.33054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21BrN4O4/c1-3-31-21(29)27-9-8-15-16(10-24)19(26)22(12-25,20(28)30-2)18(17(15)11-27)13-4-6-14(23)7-5-13/h4-8,17-18H,3,9,11,26H2,1-2H3