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

Systemtic Name: tert-butyl 6-azanyl-5,7,7-tricyano-8-(3,4-diethoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate Openeye Name: tert-butyl 6-amino-5,7,7-tricyano-8-(3,4-diethoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate CAS Name: 6-amino-5,7,7-tricyano-8-(3,4-diethoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-amino-5,7,7-tricyano-8-(3,4-diethoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate Traditional Name: 6-amino-5,7,7-tricyano-8-(3,4-diethoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid tert-butyl ester Formula: C27H31N5O4 MolecularWeight: 489.56614

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2C3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)C(=O)OC(C)(C)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2C3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)C(=O)OC(C)(C)C)OCC

InChI

InChI=1S/C27H31N5O4/c1-6-34-21-9-8-17(12-22(21)35-7-2)23-20-14-32(25(33)36-26(3,4)5)11-10-18(20)19(13-28)24(31)27(23,15-29)16-30/h8-10,12,20,23H,6-7,11,14,31H2,1-5H3