tert-butyl 6-azanyl-8-(3-bromanyl-4-methoxy-phenyl)-5,5,7-tricyano-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate

Systemtic Name: tert-butyl 6-azanyl-8-(3-bromanyl-4-methoxy-phenyl)-5,5,7-tricyano-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate Openeye Name: tert-butyl 6-amino-8-(3-bromo-4-methoxy-phenyl)-5,5,7-tricyano-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate CAS Name: 6-amino-8-(3-bromo-4-methoxyphenyl)-5,5,7-tricyano-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-amino-8-(3-bromo-4-methoxyphenyl)-5,5,7-tricyano-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate Traditional Name: 6-amino-8-(3-bromo-4-methoxy-phenyl)-5,5,7-tricyano-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid tert-butyl ester Formula: C24H24BrN5O3 MolecularWeight: 510.38306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC=C2C(C1)C(C(=C(C2(C#N)C#N)N)C#N)C3=CC(=C(C=C3)OC)Br

Isomeric SMILES

CC(C)(C)OC(=O)N1CC=C2C(C1)C(C(=C(C2(C#N)C#N)N)C#N)C3=CC(=C(C=C3)OC)Br

InChI

InChI=1S/C24H24BrN5O3/c1-23(2,3)33-22(31)30-8-7-17-16(11-30)20(14-5-6-19(32-4)18(25)9-14)15(10-26)21(29)24(17,12-27)13-28/h5-7,9,16,20H,8,11,29H2,1-4H3