
 Sch-37370

 46 49  0  0  0  0  0  0  0  0999 V2000
    1.2864    0.4232    1.4627 C   0  0  0  0  0
    2.2315    0.2150    0.3067 C   0  0  0  0  0
    2.3098   -0.8894   -0.2340 O   0  0  0  0  0
    2.9746    1.3149   -0.1143 N   0  0  0  0  0
    4.0159    1.0664   -1.1180 C   0  0  0  0  0
    4.3812    2.3145   -1.9274 C   0  0  0  0  0
    4.7099    3.4748   -1.0017 C   0  0  0  0  0
    5.8847    4.1594   -0.9579 C   0  0  0  0  0
    7.0217    3.8236   -1.8558 C   0  0  0  0  0
    7.5831    4.7581   -2.7529 C   0  0  0  0  0
    7.1693    6.2143   -2.8974 C   0  0  0  0  0
    5.9286    6.7460   -2.1701 C   0  0  0  0  0
    6.0240    6.6140   -0.6743 C   0  0  0  0  0
    5.9962    5.3493   -0.0825 C   0  0  0  0  0
    6.0784    5.1360    1.2531 N   0  0  0  0  0
    6.1993    6.2320    2.0313 C   0  0  0  0  0
    6.2344    7.5283    1.5418 C   0  0  0  0  0
    6.1438    7.7213    0.1664 C   0  0  0  0  0
    8.6741    4.3499   -3.5527 C   0  0  0  0  0
    9.2100    3.0672   -3.4474 C   0  0  0  0  0
    8.6885    2.1656   -2.5316 C   0  0  0  0  0
    7.6104    2.5480   -1.7331 C   0  0  0  0  0
   10.5415    2.6118   -4.4365 Cl  0  0  0  0  0
    3.5038    3.7608   -0.1183 C   0  0  0  0  0
    3.1464    2.5210    0.7093 C   0  0  0  0  0
    1.8436    0.6819    2.3669 H   0  0  0  0  0
    0.7399   -0.5055    1.6545 H   0  0  0  0  0
    0.5576    1.2009    1.2201 H   0  0  0  0  0
    3.6894    0.2784   -1.8059 H   0  0  0  0  0
    4.8947    0.6862   -0.5822 H   0  0  0  0  0
    5.1814    2.0722   -2.6302 H   0  0  0  0  0
    3.5232    2.6058   -2.5482 H   0  0  0  0  0
    8.0300    6.8224   -2.5847 H   0  0  0  0  0
    7.0177    6.4064   -3.9683 H   0  0  0  0  0
    5.7994    7.8036   -2.4340 H   0  0  0  0  0
    5.0224    6.2422   -2.5298 H   0  0  0  0  0
    6.2706    6.0359    3.0974 H   0  0  0  0  0
    6.3332    8.3702    2.2183 H   0  0  0  0  0
    6.1720    8.7289   -0.2392 H   0  0  0  0  0
    9.1215    5.0529   -4.2534 H   0  0  0  0  0
    9.1157    1.1726   -2.4244 H   0  0  0  0  0
    7.2291    1.8407   -0.9983 H   0  0  0  0  0
    3.6398    4.6087    0.5570 H   0  0  0  0  0
    2.6565    4.0255   -0.7649 H   0  0  0  0  0
    3.9370    2.3031    1.4382 H   0  0  0  0  0
    2.2328    2.7297    1.2722 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  4  1  0  0  0
  2  3  2  0  0  0
  4 25  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 29  1  0  0  0
  5 30  1  0  0  0
  6  7  1  0  0  0
  6 31  1  0  0  0
  6 32  1  0  0  0
  7 24  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  8 14  1  0  0  0
  9 10  2  0  0  0
  9 22  1  0  0  0
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 25 46  1  0  0  0
M  END

>  <Chemical Name>
Sch-37370

>  <PubChem CID>
60680

>  <Formula>
C21H21ClN2O

>  <Molecular Weight>
352.862000

>  <IUPAC Name>
1-[4-(8-chloro-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridin-11-ylidene)piperidin-1-yl]ethanone

>  <XlogP>
4.400

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC(=O)N1CCC(=C2C3=C(CCC4=C2N=CC=C4)C=C(C=C3)Cl)CC1

>  <Isomeric SMILES>
CC(=O)N1CCC(=C2C3=C(CCC4=C2N=CC=C4)C=C(C=C3)Cl)CC1

>  <InChI Std. ID>
InChI=1S/C21H21ClN2O/c1-14(25)24-11-8-15(9-12-24)20-19-7-6-18(22)13-17(19)5-4-16-3-2-10-23-21(16)20/h2-3,6-7,10,13H,4-5,8-9,11-12H2,1H3

>  <InChI Key>
FLTBEMVEAFMWDD-UHFFFAOYSA-N

