ethyl 6-azanyl-8-(4-chlorophenyl)-5,7,7-tricyano-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate

Systemtic Name: ethyl 6-azanyl-8-(4-chlorophenyl)-5,7,7-tricyano-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate Openeye Name: ethyl 6-amino-8-(4-chlorophenyl)-5,7,7-tricyano-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate CAS Name: 6-amino-8-(4-chlorophenyl)-5,7,7-tricyano-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-8-(4-chlorophenyl)-5,7,7-tricyano-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate Traditional Name: 6-amino-8-(4-chlorophenyl)-5,7,7-tricyano-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid ethyl ester Formula: C21H18ClN5O2 MolecularWeight: 407.85292

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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=CC=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClN5O2/c1-2-29-20(28)27-8-7-15-16(9-23)19(26)21(11-24,12-25)18(17(15)10-27)13-3-5-14(22)6-4-13/h3-7,17-18H,2,8,10,26H2,1H3