(5S,8R,8aR)-6-azanylidene-2-ethanoyl-8-propyl-3,5,8,8a-tetrahydro-1H-isoquinoline-5,7,7-tricarbonitrile

Systemtic Name: (5S,8R,8aR)-6-azanylidene-2-ethanoyl-8-propyl-3,5,8,8a-tetrahydro-1H-isoquinoline-5,7,7-tricarbonitrile Openeye Name: (5S,8R,8aR)-2-acetyl-6-imino-8-propyl-3,5,8,8a-tetrahydro-1H-isoquinoline-5,7,7-tricarbonitrile CAS Name: (5S,8R,8aR)-2-acetyl-6-imino-8-propyl-3,5,8,8a-tetrahydro-1H-isoquinoline-5,7,7-tricarbonitrile IUPAC Name: (5S,8R,8aR)-2-acetyl-6-imino-8-propyl-3,5,8,8a-tetrahydro-1H-isoquinoline-5,7,7-tricarbonitrile Traditional Name: (5S,8R,8aR)-2-acetyl-6-imino-8-propyl-3,5,8,8a-tetrahydro-1H-isoquinoline-5,7,7-tricarbonitrile Formula: C17H19N5O MolecularWeight: 309.36566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC[C@@H]1[C@H]2CN(CC=C2[C@@H](C(=N)C1(C#N)C#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/h5,13-15,21H,3-4,6,8H2,1-2H3/t13-,14-,15+/m0/s1