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

Systemtic Name: ethyl 6-azanyl-5,7,7-tricyano-8-(phenylmethyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate Openeye Name: ethyl 6-amino-8-benzyl-5,7,7-tricyano-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate CAS Name: 6-amino-5,7,7-tricyano-8-(phenylmethyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-8-benzyl-5,7,7-tricyano-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate Traditional Name: 6-amino-8-benzyl-5,7,7-tricyano-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid ethyl ester Formula: C22H21N5O2 MolecularWeight: 387.43444

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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)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)CC3=CC=CC=C3

InChI

InChI=1S/C22H21N5O2/c1-2-29-21(28)27-9-8-16-17(11-23)20(26)22(13-24,14-25)19(18(16)12-27)10-15-6-4-3-5-7-15/h3-8,18-19H,2,9-10,12,26H2,1H3