6-azanyl-2-ethyl-8-phenethyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile

Systemtic Name: 6-azanyl-2-ethyl-8-phenethyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Openeye Name: 6-amino-2-ethyl-8-phenethyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile CAS Name: 6-amino-2-ethyl-8-phenethyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile IUPAC Name: 6-amino-2-ethyl-8-phenethyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Traditional Name: 6-amino-2-ethyl-8-phenethyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Formula: C22H23N5 MolecularWeight: 357.45152

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)CCC3=CC=CC=C3

Isomeric SMILES

CCN1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)CCC3=CC=CC=C3

InChI

InChI=1S/C22H23N5/c1-2-27-11-10-17-18(12-23)21(26)22(14-24,15-25)20(19(17)13-27)9-8-16-6-4-3-5-7-16/h3-7,10,19-20H,2,8-9,11,13,26H2,1H3