tert-butyl 6-azanyl-5,7,7-tricyano-8-(4-propan-2-ylphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate

Systemtic Name: tert-butyl 6-azanyl-5,7,7-tricyano-8-(4-propan-2-ylphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate Openeye Name: tert-butyl 6-amino-5,7,7-tricyano-8-(4-isopropylphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate CAS Name: 6-amino-5,7,7-tricyano-8-(4-propan-2-ylphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-amino-5,7,7-tricyano-8-(4-propan-2-ylphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate Traditional Name: 6-amino-5,7,7-tricyano-8-p-cumenyl-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid tert-butyl ester Formula: C26H29N5O2 MolecularWeight: 443.54076

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2C3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2C3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)C(=O)OC(C)(C)C

InChI

InChI=1S/C26H29N5O2/c1-16(2)17-6-8-18(9-7-17)22-21-13-31(24(32)33-25(3,4)5)11-10-19(21)20(12-27)23(30)26(22,14-28)15-29/h6-10,16,21-22H,11,13,30H2,1-5H3