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

Systemtic Name: tert-butyl (8aR)-6-azanyl-5,7,7-tricyano-8-(furan-3-yl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate Openeye Name: tert-butyl (8aR)-6-amino-5,7,7-tricyano-8-(3-furyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate CAS Name: (8aR)-6-amino-5,7,7-tricyano-8-(3-furanyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (8aR)-6-amino-5,7,7-tricyano-8-(furan-3-yl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate Traditional Name: (8aR)-6-amino-5,7,7-tricyano-8-(3-furyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid tert-butyl ester Formula: C21H21N5O3 MolecularWeight: 391.42314

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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=COC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CC=C2[C@H](C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=COC=C3

InChI

InChI=1S/C21H21N5O3/c1-20(2,3)29-19(27)26-6-4-14-15(8-22)18(25)21(11-23,12-24)17(16(14)9-26)13-5-7-28-10-13/h4-5,7,10,16-17H,6,9,25H2,1-3H3/t16-,17?/m0/s1