
 CHEMBL3810132

 45 49  0  0  0  0  0  0  0  0999 V2000
    0.8601    1.7900    0.3131 C   0  0  0  0  0
   -0.3546    1.6745   -0.5967 C   0  0  0  0  0
   -1.2951    0.6013   -0.1218 C   0  0  0  0  0
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   -1.8320   -1.6912    0.3691 C   0  0  0  0  0
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   -3.5425   -0.0016    0.6587 C   0  0  0  0  0
   -2.6151    0.9565    0.2283 C   0  0  0  0  0
   -4.9327    0.4033    1.0819 C   0  0  0  0  0
   -4.9964    0.7054    2.5086 N   0  0  0  0  0
   -4.7580    1.9502    3.0414 C   0  0  0  0  0
   -4.9245    1.8694    4.4037 C   0  0  0  0  0
   -5.2946    0.5338    4.7163 C   0  0  0  0  0
   -5.5933   -0.1331    5.9213 C   0  0  0  0  0
   -5.9369   -1.4881    5.8936 C   0  0  0  0  0
   -5.9916   -2.1779    4.6870 C   0  0  0  0  0
   -5.7034   -1.5373    3.4778 C   0  0  0  0  0
   -5.3486   -0.1781    3.5130 C   0  0  0  0  0
    0.4179   -1.1818   -0.3110 N   0  0  0  0  0
    1.6896   -0.5766   -0.2524 C   0  0  0  0  0
    2.7963   -1.4136   -0.5168 C   0  0  0  0  0
    4.1106   -0.9489   -0.4516 C   0  0  0  0  0
    4.3514    0.3761   -0.1277 C   0  0  0  0  0
    3.2764    1.2291    0.1088 C   0  0  0  0  0
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   -5.2610    1.2974    0.5377 H   0  0  0  0  0
   -4.4793    2.7852    2.4126 H   0  0  0  0  0
   -4.7962    2.6835    5.1048 H   0  0  0  0  0
   -5.5557    0.4008    6.8662 H   0  0  0  0  0
   -6.1634   -2.0037    6.8233 H   0  0  0  0  0
   -6.2609   -3.2315    4.6827 H   0  0  0  0  0
   -5.7532   -2.0900    2.5465 H   0  0  0  0  0
    0.4770   -2.1930   -0.3485 H   0  0  0  0  0
    2.6393   -2.4610   -0.7651 H   0  0  0  0  0
    4.9384   -1.6255   -0.6444 H   0  0  0  0  0
    5.3695    0.7488   -0.0605 H   0  0  0  0  0
    3.4852    2.2674    0.3602 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  3  1  0  0  0
  2 28  1  0  0  0
  2 29  1  0  0  0
  3  8  1  0  0  0
  3  4  2  0  0  0
  4 19  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5 30  1  0  0  0
  6  7  1  0  0  0
  6 31  1  0  0  0
  7  8  2  0  0  0
  7  9  1  0  0  0
  8 32  1  0  0  0
  9 10  1  0  0  0
  9 33  1  0  0  0
  9 34  1  0  0  0
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 10 11  1  0  0  0
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 12 13  1  0  0  0
 12 36  1  0  0  0
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 13 14  2  0  0  0
 14 15  1  0  0  0
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 24 45  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3810132

>  <PubChem CID>
127043386

>  <Formula>
C23H20N2

>  <Molecular Weight>
324.427000

>  <IUPAC Name>
3-(indol-1-ylmethyl)-6,11-dihydro-5H-benzo[b][1]benzazepine

>  <XlogP>
5.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
C1CC2=C(C=CC(=C2)CN3C=CC4=CC=CC=C43)NC5=CC=CC=C51

>  <Isomeric SMILES>
C1CC2=C(C=CC(=C2)CN3C=CC4=CC=CC=C43)NC5=CC=CC=C51

>  <InChI Std. ID>
InChI=1S/C23H20N2/c1-3-7-21-18(5-1)10-11-20-15-17(9-12-22(20)24-21)16-25-14-13-19-6-2-4-8-23(19)25/h1-9,12-15,24H,10-11,16H2

>  <InChI Key>
AKFNMKCJTYVUGT-UHFFFAOYSA-N

