
 flumazenil

 36 38  0  0  0  0  0  0  0  0999 V2000
    5.1290   -1.2036    0.9443 C   0  0  0  0  0
    4.9480   -0.5900   -0.4311 C   0  0  0  0  0
    5.3130    0.7954   -0.4021 O   0  0  0  0  0
    4.3312    1.6735   -0.0441 C   0  0  0  0  0
    3.1805    1.3498    0.2304 O   0  0  0  0  0
    4.8094    3.0597   -0.0167 C   0  0  0  0  0
    4.0753    4.1973    0.2919 C   0  0  0  0  0
    2.6451    4.4000    0.5819 C   0  0  0  0  0
    2.5527    4.8596    1.9456 N   0  0  0  0  0
    2.9246    6.1355    2.3353 C   0  0  0  0  0
    2.6663    6.5840    3.4516 O   0  0  0  0  0
    3.6688    7.0267    1.3900 C   0  0  0  0  0
    4.6708    6.6208    0.4816 C   0  0  0  0  0
    4.9578    5.2543    0.2297 N   0  0  0  0  0
    6.1559    4.7252   -0.1899 C   0  0  0  0  0
    6.1060    3.4220   -0.3329 N   0  0  0  0  0
    5.4199    7.5947   -0.2109 C   0  0  0  0  0
    5.1589    8.9527   -0.0250 C   0  0  0  0  0
    4.1649    9.3437    0.8577 C   0  0  0  0  0
    3.4308    8.4027    1.5661 C   0  0  0  0  0
    3.9203   10.6474    1.0383 F   0  0  0  0  0
    1.8668    3.9912    2.8887 C   0  0  0  0  0
    4.9096   -2.2747    0.9234 H   0  0  0  0  0
    4.4715   -0.7257    1.6774 H   0  0  0  0  0
    6.1559   -1.0602    1.2967 H   0  0  0  0  0
    3.9254   -0.7273   -0.8011 H   0  0  0  0  0
    5.6163   -1.0825   -1.1443 H   0  0  0  0  0
    2.2148    5.1582   -0.0835 H   0  0  0  0  0
    2.0490    3.4933    0.4512 H   0  0  0  0  0
    7.0472    5.3213   -0.3351 H   0  0  0  0  0
    6.1879    7.3260   -0.9333 H   0  0  0  0  0
    5.7229    9.7075   -0.5660 H   0  0  0  0  0
    2.6866    8.7529    2.2788 H   0  0  0  0  0
    1.9468    4.3602    3.9147 H   0  0  0  0  0
    2.3088    2.9912    2.8403 H   0  0  0  0  0
    0.8097    3.9402    2.6114 H   0  0  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  3  1  0  0  0
  2 26  1  0  0  0
  2 27  1  0  0  0
  3  4  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6  7  2  0  0  0
  6 16  1  0  0  0
  7  8  1  0  0  0
  7 14  1  0  0  0
  8  9  1  0  0  0
  8 28  1  0  0  0
  8 29  1  0  0  0
  9 10  1  0  0  0
  9 22  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 20  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 13 17  1  0  0  0
 14 15  1  0  0  0
 15 16  2  0  0  0
 15 30  1  0  0  0
 17 18  2  0  0  0
 17 31  1  0  0  0
 18 19  1  0  0  0
 18 32  1  0  0  0
 19 20  2  0  0  0
 19 21  1  0  0  0
 20 33  1  0  0  0
 22 34  1  0  0  0
 22 35  1  0  0  0
 22 36  1  0  0  0
M  END

>  <Chemical Name>
flumazenil

>  <PubChem CID>
3373

>  <Formula>
C15H14FN3O3

>  <Molecular Weight>
303.293000

>  <IUPAC Name>
ethyl 8-fluoro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate

>  <XlogP>
1.000

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCOC(=O)C1=C2CN(C(=O)C3=C(N2C=N1)C=CC(=C3)F)C

>  <Isomeric SMILES>
CCOC(=O)C1=C2CN(C(=O)C3=C(N2C=N1)C=CC(=C3)F)C

>  <InChI Std. ID>
InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3

>  <InChI Key>
OFBIFZUFASYYRE-UHFFFAOYSA-N

