methyl 4-(6-azanyl-5,5,7-tricyano-2,3,8,8a-tetrahydro-1H-isoquinolin-8-yl)benzoate

Systemtic Name: methyl 4-(6-azanyl-5,5,7-tricyano-2,3,8,8a-tetrahydro-1H-isoquinolin-8-yl)benzoate Openeye Name: methyl 4-(6-amino-5,5,7-tricyano-2,3,8,8a-tetrahydro-1H-isoquinolin-8-yl)benzoate CAS Name: 4-(6-amino-5,5,7-tricyano-2,3,8,8a-tetrahydro-1H-isoquinolin-8-yl)benzoic acid methyl ester IUPAC Name: methyl 4-(6-amino-5,5,7-tricyano-2,3,8,8a-tetrahydro-1H-isoquinolin-8-yl)benzoate Traditional Name: 4-(6-amino-5,5,7-tricyano-2,3,8,8a-tetrahydro-1H-isoquinolin-8-yl)benzoic acid methyl ester Formula: C20H17N5O2 MolecularWeight: 359.38128

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2C3CNCC=C3C(C(=C2C#N)N)(C#N)C#N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2C3CNCC=C3C(C(=C2C#N)N)(C#N)C#N

InChI

InChI=1S/C20H17N5O2/c1-27-19(26)13-4-2-12(3-5-13)17-14(8-21)18(24)20(10-22,11-23)16-6-7-25-9-15(16)17/h2-6,15,17,25H,7,9,24H2,1H3