(8aR)-6-azanyl-8-(4-ethoxyphenyl)-2-ethyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile

Systemtic Name: (8aR)-6-azanyl-8-(4-ethoxyphenyl)-2-ethyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Openeye Name: (8aR)-6-amino-8-(4-ethoxyphenyl)-2-ethyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile CAS Name: (8aR)-6-amino-8-(4-ethoxyphenyl)-2-ethyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile IUPAC Name: (8aR)-6-amino-8-(4-ethoxyphenyl)-2-ethyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Traditional Name: (8aR)-6-amino-2-ethyl-8-p-phenetyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Formula: C22H23N5O MolecularWeight: 373.45092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC=C(C=C3)OCC

Isomeric SMILES

CCN1CC=C2[C@H](C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC=C(C=C3)OCC

InChI

InChI=1S/C22H23N5O/c1-3-27-10-9-17-18(11-23)21(26)22(13-24,14-25)20(19(17)12-27)15-5-7-16(8-6-15)28-4-2/h5-9,19-20H,3-4,10,12,26H2,1-2H3/t19-,20?/m0/s1