
 CHEMBL177031

 56 59  0  0  0  0  0  0  0  0999 V2000
   -2.8448   -0.2056    1.1105 C   0  0  0  0  0
   -1.9190   -1.3173    1.6018 C   0  0  0  0  0
   -0.8157   -1.6114    0.5537 C   0  0  0  0  0
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    2.1474    0.7831    0.1002 C   0  0  0  0  0
    1.5230    2.0251    0.1384 C   0  0  0  0  0
    0.1480    2.1053    0.3527 C   0  0  0  0  0
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   -2.0861    1.0982    0.8614 C   0  0  0  0  0
   -1.3855   -2.0514   -0.7519 N   0  0  0  0  0
   -0.3821   -2.2315   -1.8247 C   0  0  0  0  0
    0.4811   -3.5103   -1.6889 C   0  0  0  0  0
   -0.2892   -4.7709   -1.5887 N   0  0  0  0  0
   -1.3152   -4.5965   -0.5301 C   0  0  0  0  0
   -2.1673   -3.3068   -0.6604 C   0  0  0  0  0
   -0.9440   -5.1484   -2.8659 C   0  0  0  0  0
    0.0164   -5.5160   -4.0091 C   0  0  0  0  0
    0.8949   -6.6130   -3.6470 N   0  0  0  0  0
    1.0579   -7.7063   -4.4642 C   0  0  0  0  0
    0.4580   -7.8531   -5.5242 O   0  0  0  0  0
    2.0410   -8.7392   -4.0318 C   0  0  0  0  0
    2.3890   -8.9400   -2.6902 C   0  0  0  0  0
    3.3188   -9.9283   -2.3501 C   0  0  0  0  0
    3.8956  -10.7167   -3.3477 C   0  0  0  0  0
    3.5440  -10.5340   -4.6826 C   0  0  0  0  0
    2.6148   -9.5493   -5.0240 C   0  0  0  0  0
    5.0413  -11.9287   -2.9241 Cl  0  0  0  0  0
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   -2.5020   -2.2112    1.8423 H   0  0  0  0  0
   -1.4577   -1.0101    2.5511 H   0  0  0  0  0
   -0.1677   -2.3919    0.9716 H   0  0  0  0  0
    1.8993   -1.3413    0.2203 H   0  0  0  0  0
    3.2213    0.7193   -0.0523 H   0  0  0  0  0
    2.1073    2.9332    0.0170 H   0  0  0  0  0
   -0.3233    3.0843    0.4099 H   0  0  0  0  0
   -2.1433    1.6990    1.7789 H   0  0  0  0  0
   -2.5926    1.6665    0.0720 H   0  0  0  0  0
    0.2651   -1.3569   -1.9344 H   0  0  0  0  0
   -0.9211   -2.2694   -2.7807 H   0  0  0  0  0
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    1.1009   -3.4298   -0.7870 H   0  0  0  0  0
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    0.6508   -4.6705   -4.2911 H   0  0  0  0  0
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    1.4628   -6.4761   -2.8226 H   0  0  0  0  0
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    3.5851  -10.0843   -1.3088 H   0  0  0  0  0
    3.9839  -11.1527   -5.4624 H   0  0  0  0  0
    2.3381   -9.4124   -6.0682 H   0  0  0  0  0
  1  2  1  0  0  0
  1 10  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2  3  1  0  0  0
  2 31  1  0  0  0
  2 32  1  0  0  0
  3  4  1  0  0  0
  3 11  1  0  0  0
  3 33  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 34  1  0  0  0
  6  7  2  0  0  0
  6 35  1  0  0  0
  7  8  1  0  0  0
  7 36  1  0  0  0
  8  9  2  0  0  0
  8 37  1  0  0  0
  9 10  1  0  0  0
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 27 56  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL177031

>  <PubChem CID>
10046389

>  <Formula>
C23H28ClN3O

>  <Molecular Weight>
397.947000

>  <IUPAC Name>
4-chloro-N-[2-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]ethyl]benzamide

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CC(C2=CC=CC=C2C1)N3CCN(CC3)CCNC(=O)C4=CC=C(C=C4)Cl

>  <Isomeric SMILES>
C1CC(C2=CC=CC=C2C1)N3CCN(CC3)CCNC(=O)C4=CC=C(C=C4)Cl

>  <InChI Std. ID>
InChI=1S/C23H28ClN3O/c24-20-10-8-19(9-11-20)23(28)25-12-13-26-14-16-27(17-15-26)22-7-3-5-18-4-1-2-6-21(18)22/h1-2,4,6,8-11,22H,3,5,7,12-17H2,(H,25,28)

>  <InChI Key>
FGNDDXTVXSKQJK-UHFFFAOYSA-N

