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

Systemtic Name: ethyl 6-azanyl-5,7,7-tricyano-8-(2-methoxynaphthalen-1-yl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate Openeye Name: ethyl 6-amino-5,7,7-tricyano-8-(2-methoxy-1-naphthyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate CAS Name: 6-amino-5,7,7-tricyano-8-(2-methoxy-1-naphthalenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-5,7,7-tricyano-8-(2-methoxynaphthalen-1-yl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate Traditional Name: 6-amino-5,7,7-tricyano-8-(2-methoxy-1-naphthyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid ethyl ester Formula: C26H23N5O3 MolecularWeight: 453.49252

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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=CC4=CC=CC=C43)OC

Isomeric SMILES

CCOC(=O)N1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=C(C=CC4=CC=CC=C43)OC

InChI

InChI=1S/C26H23N5O3/c1-3-34-25(32)31-11-10-18-19(12-27)24(30)26(14-28,15-29)23(20(18)13-31)22-17-7-5-4-6-16(17)8-9-21(22)33-2/h4-10,20,23H,3,11,13,30H2,1-2H3