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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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