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

Systemtic Name: (8R,8aR)-6-azanyl-2-ethanoyl-8-propyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Openeye Name: (8R,8aR)-2-acetyl-6-amino-8-propyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile CAS Name: (8R,8aR)-2-acetyl-6-amino-8-propyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile IUPAC Name: (8R,8aR)-2-acetyl-6-amino-8-propyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Traditional Name: (8R,8aR)-2-acetyl-6-amino-8-propyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Formula: C17H19N5O MolecularWeight: 309.36566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1C2CN(CC=C2C(=C(C1(C#N)C#N)N)C#N)C(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C17H19N5O/c1-3-4-15-14-8-22(11(2)23)6-5-12(14)13(7-18)16(21)17(15,9-19)10-20/h5,14-15H,3-4,6,8,21H2,1-2H3/t14-,15+/m0/s1