
 CHEMBL353678

 52 54  0  0  0  0  0  0  0  0999 V2000
    5.5497   -2.5009   -0.2541 C   0  0  0  0  0
    6.8149   -1.9786   -0.8823 C   0  0  0  0  0
    7.6724   -2.7253   -1.3434 O   0  0  0  0  0
    6.9273   -0.6128   -0.8732 N   0  0  0  0  0
    8.0903    0.0555   -1.4148 C   0  0  0  0  0
    7.9373    1.5462   -1.2676 C   0  0  0  0  0
    7.2971    2.2951   -2.2629 C   0  0  0  0  0
    7.0085    3.6463   -2.0575 C   0  0  0  0  0
    7.3404    4.2675   -0.8464 C   0  0  0  0  0
    8.0348    3.5357    0.1239 C   0  0  0  0  0
    8.3246    2.1848   -0.0820 C   0  0  0  0  0
    6.8737    5.6743   -0.5565 C   0  0  0  0  0
    7.8625    6.7746   -0.9738 C   0  0  0  0  0
    7.3944    8.1208   -0.5810 N   0  0  0  0  0
    8.4284    9.1512   -0.8339 C   0  0  0  0  0
    8.6810    9.5083   -2.3215 C   0  0  0  0  0
    7.4185    9.8108   -3.0417 N   0  0  0  0  0
    6.3428    8.8290   -2.7955 C   0  0  0  0  0
    6.1668    8.5562   -1.2858 C   0  0  0  0  0
    7.5809   10.2856   -4.3570 C   0  0  0  0  0
    6.8572    9.7821   -5.4521 C   0  0  0  0  0
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    8.6408   11.8539   -5.9224 C   0  0  0  0  0
    8.4610   11.3485   -4.6287 C   0  0  0  0  0
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    5.7908   -2.9608    0.7081 H   0  0  0  0  0
    5.1014   -3.2460   -0.9173 H   0  0  0  0  0
    6.2057   -0.0454   -0.4480 H   0  0  0  0  0
    8.2020   -0.2293   -2.4675 H   0  0  0  0  0
    8.9817   -0.3036   -0.8873 H   0  0  0  0  0
    6.9829    1.8188   -3.1898 H   0  0  0  0  0
    6.4775    4.1964   -2.8311 H   0  0  0  0  0
    8.3119    4.0001    1.0680 H   0  0  0  0  0
    8.8197    1.6213    0.7066 H   0  0  0  0  0
    6.6556    5.7603    0.5163 H   0  0  0  0  0
    5.9112    5.8072   -1.0640 H   0  0  0  0  0
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    9.3740    8.8586   -0.3615 H   0  0  0  0  0
    8.1156   10.0662   -0.3114 H   0  0  0  0  0
    9.3585   10.3684   -2.3231 H   0  0  0  0  0
    9.1975    8.6785   -2.8193 H   0  0  0  0  0
    5.3869    9.2165   -3.1692 H   0  0  0  0  0
    6.5580    7.8875   -3.3161 H   0  0  0  0  0
    5.8169    9.4807   -0.8061 H   0  0  0  0  0
    5.3512    7.8421   -1.1347 H   0  0  0  0  0
    6.1443    8.9728   -5.3320 H   0  0  0  0  0
    6.4567    9.8615   -7.5709 H   0  0  0  0  0
    8.0610   11.7074   -7.9902 H   0  0  0  0  0
    9.3307   12.6764   -6.0898 H   0  0  0  0  0
    9.0044   11.8311   -3.8216 H   0  0  0  0  0
  1  2  1  0  0  0
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  1 27  1  0  0  0
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  2  4  1  0  0  0
  2  3  2  0  0  0
  4  5  1  0  0  0
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  5  6  1  0  0  0
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  5 31  1  0  0  0
  6  7  2  0  0  0
  6 11  1  0  0  0
  7  8  1  0  0  0
  7 32  1  0  0  0
  8  9  2  0  0  0
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  9 10  1  0  0  0
  9 12  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL353678

>  <PubChem CID>
22066687

>  <Formula>
C21H27N3O

>  <Molecular Weight>
337.467000

>  <IUPAC Name>
N-[[4-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]methyl]acetamide

>  <XlogP>
2.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(=O)NCC1=CC=C(C=C1)CCN2CCN(CC2)C3=CC=CC=C3

>  <Isomeric SMILES>
CC(=O)NCC1=CC=C(C=C1)CCN2CCN(CC2)C3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C21H27N3O/c1-18(25)22-17-20-9-7-19(8-10-20)11-12-23-13-15-24(16-14-23)21-5-3-2-4-6-21/h2-10H,11-17H2,1H3,(H,22,25)

>  <InChI Key>
BYOCSCZGFDKXFO-UHFFFAOYSA-N

