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

Systemtic Name: ethyl (8S)-6-azanyl-5,7,7-tricyano-8-(4-ethylphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate Openeye Name: ethyl (8S)-6-amino-5,7,7-tricyano-8-(4-ethylphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate CAS Name: (8S)-6-amino-5,7,7-tricyano-8-(4-ethylphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid ethyl ester IUPAC Name: ethyl (8S)-6-amino-5,7,7-tricyano-8-(4-ethylphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate Traditional Name: (8S)-6-amino-5,7,7-tricyano-8-(4-ethylphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid ethyl ester Formula: C23H23N5O2 MolecularWeight: 401.46102

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2C3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)C(=O)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)[C@@H]2C3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)C(=O)OCC

InChI

InChI=1S/C23H23N5O2/c1-3-15-5-7-16(8-6-15)20-19-12-28(22(29)30-4-2)10-9-17(19)18(11-24)21(27)23(20,13-25)14-26/h5-9,19-20H,3-4,10,12,27H2,1-2H3/t19?,20-/m1/s1