
 midazolam

 36 39  0  0  0  0  0  0  0  0999 V2000
    0.9638   -0.0058   -0.1440 C   0  0  0  0  0
    2.4485    0.0121   -0.0690 C   0  0  0  0  0
    3.1710    1.1012   -0.2585 N   0  0  0  0  0
    4.4708    0.6890   -0.2841 C   0  0  0  0  0
    4.5570   -0.6671   -0.0788 C   0  0  0  0  0
    3.2593   -1.1077    0.0880 N   0  0  0  0  0
    2.9030   -2.4411    0.4257 C   0  0  0  0  0
    3.6504   -3.5347   -0.0556 C   0  0  0  0  0
    3.3447   -4.8327    0.3906 C   0  0  0  0  0
    2.2881   -5.0388    1.2732 C   0  0  0  0  0
    1.5318   -3.9650    1.7316 C   0  0  0  0  0
    1.8407   -2.6671    1.3157 C   0  0  0  0  0
    1.9170   -6.6325    1.8033 Cl  0  0  0  0  0
    4.7262   -3.4000   -1.0907 C   0  0  0  0  0
    5.6826   -2.5326   -1.0504 N   0  0  0  0  0
    5.7259   -1.5623    0.0303 C   0  0  0  0  0
    4.7125   -4.3301   -2.2612 C   0  0  0  0  0
    5.9297   -4.8063   -2.7664 C   0  0  0  0  0
    5.9432   -5.6710   -3.8639 C   0  0  0  0  0
    4.7451   -6.0545   -4.4682 C   0  0  0  0  0
    3.5325   -5.5668   -3.9813 C   0  0  0  0  0
    3.5211   -4.7046   -2.8875 C   0  0  0  0  0
    2.3391   -4.2317   -2.4652 F   0  0  0  0  0
    0.6114    0.8359   -0.7499 H   0  0  0  0  0
    0.5249    0.1006    0.8519 H   0  0  0  0  0
    0.5887   -0.9200   -0.6128 H   0  0  0  0  0
    5.2810    1.3892   -0.4414 H   0  0  0  0  0
    3.9231   -5.6867    0.0464 H   0  0  0  0  0
    0.7156   -4.1266    2.4313 H   0  0  0  0  0
    1.2747   -1.8496    1.7533 H   0  0  0  0  0
    6.6497   -0.9809   -0.0674 H   0  0  0  0  0
    5.7777   -2.0505    1.0111 H   0  0  0  0  0
    6.8689   -4.5025   -2.3088 H   0  0  0  0  0
    6.8908   -6.0385   -4.2518 H   0  0  0  0  0
    4.7582   -6.7232   -5.3257 H   0  0  0  0  0
    2.5954   -5.8451   -4.4540 H   0  0  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2  3  2  0  0  0
  2  6  1  0  0  0
  3  4  1  0  0  0
  4  5  2  0  0  0
  4 27  1  0  0  0
  5 16  1  0  0  0
  5  6  1  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 14  1  0  0  0
  9 10  2  0  0  0
  9 28  1  0  0  0
 10 11  1  0  0  0
 10 13  1  0  0  0
 11 12  2  0  0  0
 11 29  1  0  0  0
 12 30  1  0  0  0
 14 15  2  0  0  0
 14 17  1  0  0  0
 15 16  1  0  0  0
 16 31  1  0  0  0
 16 32  1  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 18 33  1  0  0  0
 19 20  2  0  0  0
 19 34  1  0  0  0
 20 21  1  0  0  0
 20 35  1  0  0  0
 21 22  2  0  0  0
 21 36  1  0  0  0
 22 23  1  0  0  0
M  END

>  <Chemical Name>
midazolam

>  <PubChem CID>
4192

>  <Formula>
C18H13ClFN3

>  <Molecular Weight>
325.771000

>  <IUPAC Name>
8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine

>  <XlogP>
2.500

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=NC=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4F

>  <Isomeric SMILES>
CC1=NC=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4F

>  <InChI Std. ID>
InChI=1S/C18H13ClFN3/c1-11-21-9-13-10-22-18(14-4-2-3-5-16(14)20)15-8-12(19)6-7-17(15)23(11)13/h2-9H,10H2,1H3

>  <InChI Key>
DDLIGBOFAVUZHB-UHFFFAOYSA-N

