
 CHEMBL3764136

 59 61  0  0  0  0  0  0  0  0999 V2000
    2.5786    0.0179    0.2302 C   0  0  0  0  0
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    1.8957    8.2746   -3.7534 C   0  0  0  0  0
    1.4531    8.2282   -2.6161 O   0  0  0  0  0
    1.8685    9.4831   -4.4568 N   0  0  0  0  0
    1.3699   10.6736   -3.9820 C   0  0  0  0  0
    0.7913   10.9749   -2.7298 C   0  0  0  0  0
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    2.3074    9.7655   -5.7331 C   0  0  0  0  0
    1.2734   -2.2776    3.4539 Cl  0  0  0  0  0
    2.3419    0.9734    0.7451 H   0  0  0  0  0
    2.4599   -0.8066    0.9631 H   0  0  0  0  0
    1.8382   -0.1171   -0.5841 H   0  0  0  0  0
    4.6833    0.2241    0.5869 H   0  0  0  0  0
    4.2881   -2.1262   -0.2623 H   0  0  0  0  0
    5.5296   -1.2219   -1.1935 H   0  0  0  0  0
    4.0404   -2.4163   -2.7616 H   0  0  0  0  0
    2.5935   -1.6314   -2.0550 H   0  0  0  0  0
    4.9389   -0.2111   -3.4842 H   0  0  0  0  0
    3.2695   -0.4687   -4.1118 H   0  0  0  0  0
    5.3048    1.2899   -1.5569 H   0  0  0  0  0
    3.9204    2.1255   -0.7797 H   0  0  0  0  0
    2.9915    1.8299   -4.4243 H   0  0  0  0  0
    4.6061    2.2740   -3.7583 H   0  0  0  0  0
    3.4491    3.7349   -2.0543 H   0  0  0  0  0
    1.8447    3.1893   -2.6845 H   0  0  0  0  0
    2.4020    4.2476   -4.8911 H   0  0  0  0  0
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    0.6659   10.2489   -1.9460 H   0  0  0  0  0
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    3.1238    7.9008   -6.5610 H   0  0  0  0  0
    1.7894   -2.9501    2.3704 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  7  1  0  0  0
  2  3  1  0  0  0
  2 32  1  0  0  0
  3  4  1  0  0  0
  3 33  1  0  0  0
  3 34  1  0  0  0
  4  5  1  0  0  0
  4 35  1  0  0  0
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  5 38  1  0  0  0
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  6  8  1  0  0  0
  7 39  1  0  0  0
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  9 43  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3764136

>  <PubChem CID>
122483243

>  <Formula>
C24H31ClN2O

>  <Molecular Weight>
398.975000

>  <IUPAC Name>
1-carbazol-9-yl-6-(3-methylpiperidin-1-yl)hexan-1-one;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC1CCCN(C1)CCCCCC(=O)N2C3=CC=CC=C3C4=CC=CC=C42.Cl

>  <Isomeric SMILES>
CC1CCCN(C1)CCCCCC(=O)N2C3=CC=CC=C3C4=CC=CC=C42.Cl

>  <InChI Std. ID>
InChI=1S/C24H30N2O.ClH/c1-19-10-9-17-25(18-19)16-8-2-3-15-24(27)26-22-13-6-4-11-20(22)21-12-5-7-14-23(21)26;/h4-7,11-14,19H,2-3,8-10,15-18H2,1H3;1H

>  <InChI Key>
AJJSXEVSEGBJLG-UHFFFAOYSA-N

