(Q27260294)

alpha-(Morpholinocarbonyl)-6-methylergoline-8beta-propionitrile (English)

14 October 2016

chemical formula

C₂₃H₂₈N₄O₂

1 reference

alpha-(Morpholinocarbonyl)-6-methylergoline-8beta-propionitrile (English)

14 October 2016

canonical SMILES

CN1CC(CC2C1CC3=CNC4=CC=CC2=C34)CC(C#N)C(=O)N5CCOCC5

1 reference

alpha-(Morpholinocarbonyl)-6-methylergoline-8beta-propionitrile (English)

14 October 2016

isomeric SMILES

CN1C[C@@H](C[C@H]2[C@H]1CC3=CNC4=CC=CC2=C34)CC(C#N)C(=O)N5CCOCC5

1 reference

alpha-(Morpholinocarbonyl)-6-methylergoline-8beta-propionitrile (English)

InChI=1S/C23H28N4O2/c1-26-14-15(9-16(12-24)23(28)27-5-7-29-8-6-27)10-19-18-3-2-4-20-22(18)17(13-25-20)11-21(19)26/h2-4,13,15-16,19,21,25H,5-11,14H2,1H3/t15-,16?,19-,21-/m1/s1

14 October 2016

Identifiers

InChI

1 reference

alpha-(Morpholinocarbonyl)-6-methylergoline-8beta-propionitrile (English)

GECUXTDURWREIG-NRVIHDJLSA-N

14 October 2016

InChIKey

1 reference

Global Substance Registration System

alpha-(Morpholinocarbonyl)-6-methylergoline-8beta-propionitrile (English)

14 October 2016

1 reference

UNII

4OM34KO250

4-(2-cyano-3-((8β)-6-methylergolin-8-yl)-1-oxopropyl)morpholine (English)

14 October 2016

1 reference

DSSTOX compound identifier

alpha-(Morpholinocarbonyl)-6-methylergoline-8beta-propionitrile (English)

14 October 2016

1 reference

0 references

0 references

1 reference

Global Substance Registration System

UNII

4OM34KO250

4-(2-cyano-3-((8β)-6-methylergolin-8-yl)-1-oxopropyl)morpholine (English)