ethyl 6-azanyl-5,7,7-tricyano-8-(2-fluoranyl-5-methoxy-phenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate

Systemtic Name: ethyl 6-azanyl-5,7,7-tricyano-8-(2-fluoranyl-5-methoxy-phenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate Openeye Name: ethyl 6-amino-5,7,7-tricyano-8-(2-fluoro-5-methoxy-phenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate CAS Name: 6-amino-5,7,7-tricyano-8-(2-fluoro-5-methoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-5,7,7-tricyano-8-(2-fluoro-5-methoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate Traditional Name: 6-amino-5,7,7-tricyano-8-(2-fluoro-5-methoxy-phenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid ethyl ester Formula: C22H20FN5O3 MolecularWeight: 421.424303

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20FN5O3/c1-3-31-21(29)28-7-6-14-16(9-24)20(27)22(11-25,12-26)19(17(14)10-28)15-8-13(30-2)4-5-18(15)23/h4-6,8,17,19H,3,7,10,27H2,1-2H3