tert-butyl 6-azanyl-8-(3-bromophenyl)-5,7,7-tricyano-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate

Systemtic Name: tert-butyl 6-azanyl-8-(3-bromophenyl)-5,7,7-tricyano-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate Openeye Name: tert-butyl 6-amino-8-(3-bromophenyl)-5,7,7-tricyano-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate CAS Name: 6-amino-8-(3-bromophenyl)-5,7,7-tricyano-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-amino-8-(3-bromophenyl)-5,7,7-tricyano-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate Traditional Name: 6-amino-8-(3-bromophenyl)-5,7,7-tricyano-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid tert-butyl ester Formula: C23H22BrN5O2 MolecularWeight: 480.35708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22BrN5O2/c1-22(2,3)31-21(30)29-8-7-16-17(10-25)20(28)23(12-26,13-27)19(18(16)11-29)14-5-4-6-15(24)9-14/h4-7,9,18-19H,8,11,28H2,1-3H3