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

Systemtic Name: (8R,8aR)-6-azanyl-2-ethanoyl-8-ethyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Openeye Name: (8R,8aR)-2-acetyl-6-amino-8-ethyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile CAS Name: (8R,8aR)-2-acetyl-6-amino-8-ethyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile IUPAC Name: (8R,8aR)-2-acetyl-6-amino-8-ethyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Traditional Name: (8R,8aR)-2-acetyl-6-amino-8-ethyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Formula: C16H17N5O MolecularWeight: 295.33908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1C2CN(CC=C2C(=C(C1(C#N)C#N)N)C#N)C(=O)C

Isomeric SMILES

CC[C@@H]1[C@H]2CN(CC=C2C(=C(C1(C#N)C#N)N)C#N)C(=O)C

InChI

InChI=1S/C16H17N5O/c1-3-14-13-7-21(10(2)22)5-4-11(13)12(6-17)15(20)16(14,8-18)9-19/h4,13-14H,3,5,7,20H2,1-2H3/t13-,14+/m0/s1