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

Systemtic Name: tert-butyl 5-azanyl-8-(3-chlorophenyl)-6,7,7-tricyano-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate Openeye Name: tert-butyl 5-amino-8-(3-chlorophenyl)-6,7,7-tricyano-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate CAS Name: 5-amino-8-(3-chlorophenyl)-6,7,7-tricyano-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-amino-8-(3-chlorophenyl)-6,7,7-tricyano-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate Traditional Name: 5-amino-8-(3-chlorophenyl)-6,7,7-tricyano-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid tert-butyl ester Formula: C23H22ClN5O2 MolecularWeight: 435.90608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC=C2C(C1)C(C(C(=C2N)C#N)(C#N)C#N)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CC=C2C(C1)C(C(C(=C2N)C#N)(C#N)C#N)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C23H22ClN5O2/c1-22(2,3)31-21(30)29-8-7-16-17(11-29)19(14-5-4-6-15(24)9-14)23(12-26,13-27)18(10-25)20(16)28/h4-7,9,17,19H,8,11,28H2,1-3H3