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

Systemtic Name: tert-butyl 6-azanyl-8-(1,3-benzodioxol-5-yl)-5,7,7-tricyano-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate Openeye Name: tert-butyl 6-amino-8-(1,3-benzodioxol-5-yl)-5,7,7-tricyano-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate CAS Name: 6-amino-8-(1,3-benzodioxol-5-yl)-5,7,7-tricyano-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-amino-8-(1,3-benzodioxol-5-yl)-5,7,7-tricyano-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate Traditional Name: 6-amino-8-(1,3-benzodioxol-5-yl)-5,7,7-tricyano-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid tert-butyl ester Formula: C24H23N5O4 MolecularWeight: 445.47052

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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=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)(C)OC(=O)N1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C24H23N5O4/c1-23(2,3)33-22(30)29-7-6-15-16(9-25)21(28)24(11-26,12-27)20(17(15)10-29)14-4-5-18-19(8-14)32-13-31-18/h4-6,8,17,20H,7,10,13,28H2,1-3H3