Marvin  12070916362D          

 27 30  0  0  0  0            999 V2000
   14.7605   -6.8068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7605   -7.6318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4750   -8.0442    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.1895   -7.6318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1895   -6.8068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4750   -6.3942    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741   -7.8866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4590   -7.2192    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741   -6.5518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2667   -7.2192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6793   -7.9337    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.5043   -7.9337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9167   -7.2192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5043   -6.5048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6793   -6.5048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2281   -5.7699    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.7417   -7.2192    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   16.9741   -8.7116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.6956   -9.1284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6954   -9.9417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.4102   -8.7161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9762  -10.3566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9760  -11.1816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6904  -11.5943    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.4095  -11.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4098  -10.3543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6902  -12.4166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  6  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  5  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 10 15  1  0  0  0  0
  9 16  2  0  0  0  0
 13 17  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
  7 18  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 20 26  1  0  0  0  0
 24 27  1  0  0  0  0
M  END
> <ID>
CHEBI:32315

> <NAME>
zopiclone

> <DEFINITION>
A pyrrolo[3,4-b]pyrazine compound having a 4-methylpiperazine-1-carboxyl group at the 5-position, a 5-chloropyridin-2-yl group at the 6-position and an oxo-substituent at the 7-position.

> <STAR>
3

> <SYNONYM>
6-(5-Chloro-2-pyridinyl)-7-oxo-6,7-dihydro-5H-pyrrolo[3,4-b]pyrazin-5-yl 4-methyl-1-piperazinecarboxylate; (+-)-zopiclone

> <IUPAC_NAME>
6-(5-chloropyridin-2-yl)-7-oxo-6,7-dihydro-5H-pyrrolo[3,4-b]pyrazin-5-yl 4-methylpiperazine-1-carboxylate

> <INN>
zopiclonum; zopiclone; zopiclona

> <FORMULA>
C17H17ClN6O3

> <MASS>
388.80800

> <MONOISOTOPIC_MASS>
388.10507

> <CHARGE>
0

> <SMILES>
CN1CCN(CC1)C(=O)OC1N(C(=O)c2nccnc12)c1ccc(Cl)cn1

> <INCHI>
InChI=1S/C17H17ClN6O3/c1-22-6-8-23(9-7-22)17(26)27-16-14-13(19-4-5-20-14)15(25)24(16)12-3-2-11(18)10-21-12/h2-5,10,16H,6-9H2,1H3

> <INCHIKEY>
GBBSUAFBMRNDJC-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
768704

> <CAS_REGISTRY_NUMBER>
43200-80-2

> <CHEMIDPLUS>
43200-80-2

> <DRUGBANK_ACCESSION>
DB01198

> <KEGG_DRUG_ACCESSION>
D01372

> <LINCS_ACCESSION>
LSM-4408

> <WIKIPEDIA_ACCESSION>
Zopiclone

$$$$