ethyl 6-azanyl-5,7,7-tricyano-8-propan-2-yl-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate

Systemtic Name: ethyl 6-azanyl-5,7,7-tricyano-8-propan-2-yl-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate Openeye Name: ethyl 6-amino-5,7,7-tricyano-8-isopropyl-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate CAS Name: 6-amino-5,7,7-tricyano-8-propan-2-yl-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-5,7,7-tricyano-8-propan-2-yl-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate Traditional Name: 6-amino-5,7,7-tricyano-8-isopropyl-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid ethyl ester Formula: C18H21N5O2 MolecularWeight: 339.39164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C(C)C

Isomeric SMILES

CCOC(=O)N1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C(C)C

InChI

InChI=1S/C18H21N5O2/c1-4-25-17(24)23-6-5-12-13(7-19)16(22)18(9-20,10-21)15(11(2)3)14(12)8-23/h5,11,14-15H,4,6,8,22H2,1-3H3