
 olanzapine

 42 45  0  0  0  0  0  0  0  0999 V2000
    0.2358   -0.5394   -0.9012 C   0  0  0  0  0
    1.6961   -0.3880   -0.6569 C   0  0  0  0  0
    2.5581    0.5723   -1.1424 C   0  0  0  0  0
    3.8952    0.4417   -0.6223 C   0  0  0  0  0
    4.0201   -0.7326    0.0918 C   0  0  0  0  0
    2.5081   -1.4927    0.3577 S   0  0  0  0  0
    5.1586   -1.3129    0.5553 N   0  0  0  0  0
    6.2643   -1.4086   -0.3354 C   0  0  0  0  0
    6.9254   -2.6489   -0.4392 C   0  0  0  0  0
    7.9465   -2.8458   -1.3694 C   0  0  0  0  0
    8.3311   -1.8031   -2.2024 C   0  0  0  0  0
    7.7065   -0.5604   -2.0876 C   0  0  0  0  0
    6.6728   -0.3392   -1.1639 C   0  0  0  0  0
    6.2235    0.9884   -1.0637 N   0  0  0  0  0
    5.0074    1.3732   -0.8103 C   0  0  0  0  0
    4.6921    2.7372   -0.7024 N   0  0  0  0  0
    3.6242    3.2464    0.1875 C   0  0  0  0  0
    4.1423    3.3934    1.6360 C   0  0  0  0  0
    5.3493    4.2374    1.7831 N   0  0  0  0  0
    6.3693    3.8179    0.7880 C   0  0  0  0  0
    5.8443    3.6764   -0.6654 C   0  0  0  0  0
    5.0359    5.6579    1.6693 C   0  0  0  0  0
   -0.1285    0.2312   -1.5879 H   0  0  0  0  0
   -0.3237   -0.4441    0.0358 H   0  0  0  0  0
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    2.2471    1.3745   -1.8004 H   0  0  0  0  0
    5.0218   -2.1732    1.0738 H   0  0  0  0  0
    6.6272   -3.4834    0.1893 H   0  0  0  0  0
    8.4335   -3.8143   -1.4466 H   0  0  0  0  0
    9.1239   -1.9469   -2.9320 H   0  0  0  0  0
    8.0323    0.2618   -2.7192 H   0  0  0  0  0
    2.7252    2.6315    0.1940 H   0  0  0  0  0
    3.2959    4.2222   -0.1913 H   0  0  0  0  0
    3.3362    3.7760    2.2731 H   0  0  0  0  0
    4.3800    2.3945    2.0258 H   0  0  0  0  0
    7.2177    4.5119    0.8086 H   0  0  0  0  0
    6.7689    2.8500    1.1169 H   0  0  0  0  0
    5.5199    4.6527   -1.0459 H   0  0  0  0  0
    6.6550    3.3576   -1.3309 H   0  0  0  0  0
    5.9308    6.2606    1.8595 H   0  0  0  0  0
    4.3000    5.9496    2.4275 H   0  0  0  0  0
    4.6386    5.9390    0.6885 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  2  0  0  0
  2  6  1  0  0  0
  3  4  1  0  0  0
  3 26  1  0  0  0
  4 15  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5  7  1  0  0  0
  7  8  1  0  0  0
  7 27  1  0  0  0
  8 13  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
  9 28  1  0  0  0
 10 11  2  0  0  0
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 22 42  1  0  0  0
M  END

>  <Chemical Name>
olanzapine

>  <PubChem CID>
135398745

>  <Formula>
C17H20N4S

>  <Molecular Weight>
312.435000

>  <IUPAC Name>
2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepine

>  <XlogP>
2.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=CC2=C(S1)NC3=CC=CC=C3N=C2N4CCN(CC4)C

>  <Isomeric SMILES>
CC1=CC2=C(S1)NC3=CC=CC=C3N=C2N4CCN(CC4)C

>  <InChI Std. ID>
InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3

>  <InChI Key>
KVWDHTXUZHCGIO-UHFFFAOYSA-N

