iomazenil (123I)
  CDK     0223171738
null
 22 24  0  0  0  0  0  0  0  0999 V2000
    1.0713   -1.9747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7863   -1.5630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0713   -2.8002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3564   -1.5630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5012   -1.9747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3605   -1.9727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3564   -0.7374    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2161   -1.5630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0734   -1.5589    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3605   -2.7982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0713   -0.7374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7903   -1.9727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6453   -3.5602    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7903   -2.7982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5032   -1.5589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1844   -4.2444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4749   -3.5602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5032   -3.2099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2181   -1.9727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9358   -4.2444    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5032   -4.0355    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2181   -2.7982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0 
  1  3  2  0  0  0  0 
  1  4  1  0  0  0  0 
  2  5  1  0  0  0  0 
  4  6  2  0  0  0  0 
  4  7  1  0  0  0  0 
  5  8  1  0  0  0  0 
  6  9  1  0  0  0  0 
  6 10  1  0  0  0  0 
  7 11  2  0  0  0  0 
  9 11  1  0  0  0  0 
  9 12  1  0  0  0  0 
 10 13  1  0  0  0  0 
 12 14  1  0  0  0  0 
 12 15  2  0  0  0  0 
 13 16  1  0  0  0  0 
 13 17  1  0  0  0  0 
 14 17  1  0  0  0  0 
 14 18  2  0  0  0  0 
 15 19  1  0  0  0  0 
 17 20  2  0  0  0  0 
 18 21  1  0  0  0  0 
 18 22  1  0  0  0  0 
 19 22  2  0  0  0  0 
M  ISO  1  21 123
M  END
> <ID>
CHEBI:135665

> <NAME>
iomazenil ((123)I)

> <STAR>
2

> <SYNONYM>
iomazenil

> <FORMULA>
C15H14[123I]N3O3

> <MASS>
407.201

> <MONOISOTOPIC_MASS>
407.00911

> <CHARGE>
0

> <SMILES>
C(OCC)(=O)C1=C2N(C=N1)C=3C(C(N(C2)C)=O)=C([123I])C=CC3

> <INCHI>
InChI=1S/C15H14IN3O3/c1-3-22-15(21)13-11-7-18(2)14(20)12-9(16)5-4-6-10(12)19(11)8-17-13/h4-6,8H,3,7H2,1-2H3/i16-4

> <INCHIKEY>
FRIZVHMAECRUBR-KIWWSDKQSA-N

> <CAS_REGISTRY_NUMBER>
127396-36-5

$$$$