methyl 4-(6-azanyl-5,5,7-tricyano-2-propan-2-yl-1,3,8,8a-tetrahydroisoquinolin-8-yl)benzoate

Systemtic Name: methyl 4-(6-azanyl-5,5,7-tricyano-2-propan-2-yl-1,3,8,8a-tetrahydroisoquinolin-8-yl)benzoate Openeye Name: methyl 4-(6-amino-5,5,7-tricyano-2-isopropyl-1,3,8,8a-tetrahydroisoquinolin-8-yl)benzoate CAS Name: 4-(6-amino-5,5,7-tricyano-2-propan-2-yl-1,3,8,8a-tetrahydroisoquinolin-8-yl)benzoic acid methyl ester IUPAC Name: methyl 4-(6-amino-5,5,7-tricyano-2-propan-2-yl-1,3,8,8a-tetrahydroisoquinolin-8-yl)benzoate Traditional Name: 4-(6-amino-5,5,7-tricyano-2-isopropyl-1,3,8,8a-tetrahydroisoquinolin-8-yl)benzoic acid methyl ester Formula: C23H23N5O2 MolecularWeight: 401.46102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N5O2/c1-14(2)28-9-8-19-18(11-28)20(15-4-6-16(7-5-15)22(29)30-3)17(10-24)21(27)23(19,12-25)13-26/h4-8,14,18,20H,9,11,27H2,1-3H3