(8R,8aR)-6-azanylidene-2-ethyl-8-phenethyl-3,5,8,8a-tetrahydro-1H-isoquinoline-5,7,7-tricarbonitrile

Systemtic Name: (8R,8aR)-6-azanylidene-2-ethyl-8-phenethyl-3,5,8,8a-tetrahydro-1H-isoquinoline-5,7,7-tricarbonitrile Openeye Name: (8R,8aR)-2-ethyl-6-imino-8-phenethyl-3,5,8,8a-tetrahydro-1H-isoquinoline-5,7,7-tricarbonitrile CAS Name: (8R,8aR)-2-ethyl-6-imino-8-phenethyl-3,5,8,8a-tetrahydro-1H-isoquinoline-5,7,7-tricarbonitrile IUPAC Name: (8R,8aR)-2-ethyl-6-imino-8-phenethyl-3,5,8,8a-tetrahydro-1H-isoquinoline-5,7,7-tricarbonitrile Traditional Name: (8R,8aR)-2-ethyl-6-imino-8-phenethyl-3,5,8,8a-tetrahydro-1H-isoquinoline-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(=N)C2C#N)(C#N)C#N)CCC3=CC=CC=C3

Isomeric SMILES

CCN1CC=C2[C@H](C1)[C@H](C(C(=N)C2C#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/h3-7,10,18-20,26H,2,8-9,11,13H2,1H3/t18?,19-,20+/m0/s1