
 CHEMBL3810295

 51 56  0  0  0  0  0  0  0  0999 V2000
    1.0407    1.8256   -0.0713 C   0  0  0  0  0
   -0.2131    1.5598   -0.8928 C   0  0  0  0  0
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   -2.4065    0.9841    0.1975 C   0  0  0  0  0
   -4.6684    0.5909    1.2359 C   0  0  0  0  0
   -5.1789   -0.0367    2.4550 N   0  0  0  0  0
   -4.9060    0.4003    3.7392 C   0  0  0  0  0
   -4.1430    1.4822    4.2095 C   0  0  0  0  0
   -4.0390    1.6686    5.5914 C   0  0  0  0  0
   -4.6673    0.8017    6.4791 C   0  0  0  0  0
   -5.4179   -0.2770    6.0030 C   0  0  0  0  0
   -5.5446   -0.4840    4.6125 C   0  0  0  0  0
   -6.2170   -1.4680    3.8211 C   0  0  0  0  0
   -6.9913   -2.6045    4.1354 C   0  0  0  0  0
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   -5.9959   -1.1550    2.4790 C   0  0  0  0  0
    0.5927   -1.2158   -0.2667 N   0  0  0  0  0
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    4.5265    0.3488   -0.2803 C   0  0  0  0  0
    3.4521    1.2285   -0.1718 C   0  0  0  0  0
    2.1145    0.7724   -0.2001 C   0  0  0  0  0
    0.8015    1.9598    0.9915 H   0  0  0  0  0
    1.4506    2.7814   -0.4252 H   0  0  0  0  0
   -0.7456    2.5101   -1.0280 H   0  0  0  0  0
    0.0254    1.1992   -1.9013 H   0  0  0  0  0
   -1.3094   -2.6536    0.8279 H   0  0  0  0  0
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   -5.9011   -0.9532    6.7026 H   0  0  0  0  0
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   -8.1034   -4.2741    3.3514 H   0  0  0  0  0
   -7.6965   -3.6845    0.9879 H   0  0  0  0  0
   -6.3435   -1.6999    0.3943 H   0  0  0  0  0
    0.6551   -2.2228   -0.1659 H   0  0  0  0  0
    2.8116   -2.5451   -0.5382 H   0  0  0  0  0
    5.1118   -1.7054   -0.5167 H   0  0  0  0  0
    5.5450    0.7252   -0.2560 H   0  0  0  0  0
    3.6624    2.2910   -0.0640 H   0  0  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2  3  1  0  0  0
  2 32  1  0  0  0
  2 33  1  0  0  0
  3  8  1  0  0  0
  3  4  2  0  0  0
  4 23  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5 34  1  0  0  0
  6  7  1  0  0  0
  6 35  1  0  0  0
  7  8  2  0  0  0
  7  9  1  0  0  0
  8 36  1  0  0  0
  9 10  1  0  0  0
  9 37  1  0  0  0
  9 38  1  0  0  0
 10 11  1  0  0  0
 10 22  1  0  0  0
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 24 25  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3810295

>  <PubChem CID>
127043387

>  <Formula>
C27H22N2

>  <Molecular Weight>
374.487000

>  <IUPAC Name>
3-(carbazol-9-ylmethyl)-6,11-dihydro-5H-benzo[b][1]benzazepine

>  <XlogP>
6.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
C1CC2=C(C=CC(=C2)CN3C4=CC=CC=C4C5=CC=CC=C53)NC6=CC=CC=C61

>  <Isomeric SMILES>
C1CC2=C(C=CC(=C2)CN3C4=CC=CC=C4C5=CC=CC=C53)NC6=CC=CC=C61

>  <InChI Std. ID>
InChI=1S/C27H22N2/c1-4-10-24-20(7-1)14-15-21-17-19(13-16-25(21)28-24)18-29-26-11-5-2-8-22(26)23-9-3-6-12-27(23)29/h1-13,16-17,28H,14-15,18H2

>  <InChI Key>
AHNXBJZDQOBFDK-UHFFFAOYSA-N

