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

Systemtic Name: tert-butyl 6-azanyl-5,5,7-tricyano-8-(3-fluorophenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate Openeye Name: tert-butyl 6-amino-5,5,7-tricyano-8-(3-fluorophenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate CAS Name: 6-amino-5,5,7-tricyano-8-(3-fluorophenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-amino-5,5,7-tricyano-8-(3-fluorophenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate Traditional Name: 6-amino-5,5,7-tricyano-8-(3-fluorophenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid tert-butyl ester Formula: C23H22FN5O2 MolecularWeight: 419.451483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC=C2C(C1)C(C(=C(C2(C#N)C#N)N)C#N)C3=CC(=CC=C3)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CC=C2C(C1)C(C(=C(C2(C#N)C#N)N)C#N)C3=CC(=CC=C3)F

InChI

InChI=1S/C23H22FN5O2/c1-22(2,3)31-21(30)29-8-7-18-17(11-29)19(14-5-4-6-15(24)9-14)16(10-25)20(28)23(18,12-26)13-27/h4-7,9,17,19H,8,11,28H2,1-3H3