
 CHEMBL367542

 76 79  0  0  0  0  0  0  0  0999 V2000
    0.4731    9.7913   -2.3559 C   0  0  0  0  0
    1.6869    8.9670   -2.6930 C   0  0  0  0  0
    2.8131    9.4550   -2.7434 O   0  0  0  0  0
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    3.0091    5.8869   -1.9666 C   0  0  0  0  0
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    4.6593    6.2518   -0.0007 C   0  0  0  0  0
    5.6600    5.3395   -0.5744 N   0  0  0  0  0
    4.9632    4.3151   -1.3731 C   0  0  0  0  0
    4.1070    4.9115   -2.4990 C   0  0  0  0  0
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    9.4033    8.3906   -3.8845 N   0  0  0  0  0
   10.8230    8.4025   -3.5627 C   0  0  0  0  0
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   11.7988   11.5111    1.9774 Cl  0  0  0  0  0
   12.6726    8.3776    1.9144 Cl  0  0  0  0  0
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   -0.4420    9.3232   -2.7307 H   0  0  0  0  0
    0.5652   10.7763   -2.8220 H   0  0  0  0  0
    0.4025    9.9019   -1.2707 H   0  0  0  0  0
    0.4742    7.2898   -2.7206 H   0  0  0  0  0
    3.2447    7.1579   -3.7455 H   0  0  0  0  0
    1.9757    5.9442   -3.9077 H   0  0  0  0  0
    3.0485    7.5758   -0.5249 H   0  0  0  0  0
    4.3630    7.5715   -1.6588 H   0  0  0  0  0
    5.1464    7.0270    0.6012 H   0  0  0  0  0
    4.0464    5.6902    0.7164 H   0  0  0  0  0
    5.6940    3.6167   -1.7989 H   0  0  0  0  0
    4.3383    3.7067   -0.7071 H   0  0  0  0  0
    4.7570    5.4478   -3.2018 H   0  0  0  0  0
    3.6961    4.1014   -3.1073 H   0  0  0  0  0
    6.2592    6.5048   -2.2344 H   0  0  0  0  0
    7.3705    5.2160   -1.7763 H   0  0  0  0  0
    7.9464    6.5519    0.3004 H   0  0  0  0  0
    6.9797    7.8738   -0.3465 H   0  0  0  0  0
    9.4790    6.6362   -1.6238 H   0  0  0  0  0
    7.6896    8.8335   -2.7847 H   0  0  0  0  0
    7.8508    7.1922   -3.3703 H   0  0  0  0  0
   11.1773    7.3696   -3.5071 H   0  0  0  0  0
   11.0006    8.9118   -2.6187 H   0  0  0  0  0
   11.4025    8.9518   -4.3058 H   0  0  0  0  0
   11.0912    7.2849   -6.0247 H   0  0  0  0  0
   12.4119    7.7361   -8.0615 H   0  0  0  0  0
   11.7434    9.5571   -9.6067 H   0  0  0  0  0
    9.7511   10.9478   -9.0981 H   0  0  0  0  0
    8.4599   10.5521   -7.0241 H   0  0  0  0  0
   10.9346    7.0386    0.1814 H   0  0  0  0  0
    9.5772   11.8105    0.2759 H   0  0  0  0  0
    8.3336   10.2321   -1.1221 H   0  0  0  0  0
    1.9249    3.3509   -2.5646 H   0  0  0  0  0
    0.0667    2.1925   -1.5350 H   0  0  0  0  0
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   -0.5915    5.5037    1.1037 H   0  0  0  0  0
    1.2913    6.6957    0.1208 H   0  0  0  0  0
  1  2  1  0  0  0
  1 40  1  0  0  0
  1 41  1  0  0  0
  1 42  1  0  0  0
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  9 10  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL367542

>  <PubChem CID>
44383761

>  <Formula>
C32H37Cl2N3O2

>  <Molecular Weight>
566.567000

>  <IUPAC Name>
N-[4-[4-(acetamidomethyl)-4-phenylpiperidin-1-yl]-2-(3,4-dichlorophenyl)butyl]-N-methylbenzamide

>  <XlogP>
6.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(=O)NCC1(CCN(CC1)CCC(CN(C)C(=O)C2=CC=CC=C2)C3=CC(=C(C=C3)Cl)Cl)C4=CC=CC=C4

>  <Isomeric SMILES>
CC(=O)NCC1(CCN(CC1)CCC(CN(C)C(=O)C2=CC=CC=C2)C3=CC(=C(C=C3)Cl)Cl)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C32H37Cl2N3O2/c1-24(38)35-23-32(28-11-7-4-8-12-28)16-19-37(20-17-32)18-15-27(26-13-14-29(33)30(34)21-26)22-36(2)31(39)25-9-5-3-6-10-25/h3-14,21,27H,15-20,22-23H2,1-2H3,(H,35,38)

>  <InChI Key>
BMDLZZBNFZPPNM-UHFFFAOYSA-N

