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

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

Systemtic Name:(5R,8S,8aS)-6-azanylidene-2-ethanoyl-8-ethyl-3,5,8,8a-tetrahydro-1H-isoquinoline-5,7,7-tricarbonitrile
Openeye Name:(5R,8S,8aS)-2-acetyl-8-ethyl-6-imino-3,5,8,8a-tetrahydro-1H-isoquinoline-5,7,7-tricarbonitrile
CAS Name:(5R,8S,8aS)-2-acetyl-8-ethyl-6-imino-3,5,8,8a-tetrahydro-1H-isoquinoline-5,7,7-tricarbonitrile
IUPAC Name:(5R,8S,8aS)-2-acetyl-8-ethyl-6-imino-3,5,8,8a-tetrahydro-1H-isoquinoline-5,7,7-tricarbonitrile
Traditional Name:(5R,8S,8aS)-2-acetyl-8-ethyl-6-imino-3,5,8,8a-tetrahydro-1H-isoquinoline-5,7,7-tricarbonitrile
Formula: C16H17N5O
MolecularWeight: 295.33908
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

CC[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/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/h4,12-14,20H,3,5,7H2,1-2H3/t12-,13-,14+/m1/s1


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