flutoprazepam
  CDK     0222172000

 24 27  0  0  0  0  0  0  0  0999 V2000
    0.4340   -5.6112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2886   -5.2120    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4340   -6.4362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0020   -4.4484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1157   -5.2120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4319   -7.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1464   -6.8518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0020   -3.6234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -4.8619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5783   -5.8958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4309   -4.4484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.2120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.2120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4269   -4.4484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4309   -3.6234    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.3870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4269   -3.6234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.9734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.9734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1413   -3.2120    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.1433   -2.3870    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.7370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0 
  1  3  1  0  0  0  0 
  2  4  1  0  0  0  0 
  2  5  1  0  0  0  0 
  3  6  1  0  0  0  0 
  3  7  1  0  0  0  0 
  4  8  1  0  0  0  0 
  4  9  2  0  0  0  0 
  5 10  2  0  0  0  0 
  5 11  1  0  0  0  0 
  6  7  1  0  0  0  0 
  8 12  1  0  0  0  0 
  8 13  2  0  0  0  0 
  9 14  1  0  0  0  0 
 11 15  1  0  0  0  0 
 12 15  2  0  0  0  0 
 12 16  1  0  0  0  0 
 13 17  1  0  0  0  0 
 14 17  2  0  0  0  0 
 16 18  2  0  0  0  0 
 16 19  1  0  0  0  0 
 17 20  1  0  0  0  0 
 18 21  1  0  0  0  0 
 18 22  1  0  0  0  0 
 19 23  2  0  0  0  0 
 22 24  2  0  0  0  0 
 23 24  1  0  0  0  0 
M  END
> <ID>
CHEBI:31629

> <NAME>
Flutoprazepam

> <STAR>
2

> <SYNONYM>
Flutoprazepam

> <FORMULA>
C19H16ClFN2O; C19H16ClFN2O

> <MASS>
342.795

> <MONOISOTOPIC_MASS>
342.09352

> <CHARGE>
0

> <SMILES>
C(N1C=2C(C(=NCC1=O)C3=C(F)C=CC=C3)=CC(=CC2)Cl)C4CC4

> <INCHI>
InChI=1S/C19H16ClFN2O/c20-13-7-8-17-15(9-13)19(14-3-1-2-4-16(14)21)22-10-18(24)23(17)11-12-5-6-12/h1-4,7-9,12H,5-6,10-11H2

> <INCHIKEY>
OFVXPDXXVSGEPX-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
25967-29-7

> <KEGG_DRUG_ACCESSION>
D01279

$$$$