(phenylmethyl) 6-azanyl-8-(4-bromophenyl)-5,7,7-tricyano-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate

Systemtic Name: (phenylmethyl) 6-azanyl-8-(4-bromophenyl)-5,7,7-tricyano-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate Openeye Name: benzyl 6-amino-8-(4-bromophenyl)-5,7,7-tricyano-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate CAS Name: 6-amino-8-(4-bromophenyl)-5,7,7-tricyano-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-amino-8-(4-bromophenyl)-5,7,7-tricyano-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate Traditional Name: 6-amino-8-(4-bromophenyl)-5,7,7-tricyano-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid benzyl ester Formula: C26H20BrN5O2 MolecularWeight: 514.3733

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C2C(CN1C(=O)OCC3=CC=CC=C3)C(C(C(=C2C#N)N)(C#N)C#N)C4=CC=C(C=C4)Br

Isomeric SMILES

C1C=C2C(CN1C(=O)OCC3=CC=CC=C3)C(C(C(=C2C#N)N)(C#N)C#N)C4=CC=C(C=C4)Br

InChI

InChI=1S/C26H20BrN5O2/c27-19-8-6-18(7-9-19)23-22-13-32(25(33)34-14-17-4-2-1-3-5-17)11-10-20(22)21(12-28)24(31)26(23,15-29)16-30/h1-10,22-23H,11,13-14,31H2