
 N-Allyl-2-(4-benzhydryl-piperazin-1-yl)-acetamide

 61 62  0  0  0  0  0  0  0  0999 V2000
    4.2518   13.0447   -5.0848 C   0  0  0  0  0
    3.9501   12.5845   -3.8628 C   0  0  0  0  0
    4.9687   12.2662   -2.8129 C   0  0  0  0  0
    4.6682   10.9574   -2.2834 N   0  0  0  0  0
    5.5445    9.8938   -2.3962 C   0  0  0  0  0
    6.6225    9.9862   -2.9755 O   0  0  0  0  0
    5.0186    8.6149   -1.7072 C   0  0  0  0  0
    5.9267    7.4533   -1.7401 N   0  0  0  0  0
    6.1291    6.9069   -3.0876 C   0  0  0  0  0
    7.1957    5.7797   -3.2102 C   0  0  0  0  0
    8.0021    5.4694   -2.0081 N   0  0  0  0  0
    8.3616    6.7787   -1.4122 C   0  0  0  0  0
    7.1729    7.6764   -0.9936 C   0  0  0  0  0
    7.3061    4.5780   -1.0326 C   0  0  0  0  0
    6.7694    3.2834   -1.6726 C   0  0  0  0  0
    5.3950    3.1572   -1.9451 C   0  0  0  0  0
    4.8843    1.9940   -2.5273 C   0  0  0  0  0
    5.7358    0.9356   -2.8345 C   0  0  0  0  0
    7.0995    1.0440   -2.5744 C   0  0  0  0  0
    7.6146    2.2133   -2.0117 C   0  0  0  0  0
    8.1740    4.2243    0.1952 C   0  0  0  0  0
    7.5525    3.9175    1.4183 C   0  0  0  0  0
    8.3105    3.5525    2.5335 C   0  0  0  0  0
    9.7001    3.4901    2.4459 C   0  0  0  0  0
   10.3338    3.7784    1.2406 C   0  0  0  0  0
    9.5764    4.1301    0.1219 C   0  0  0  0  0
   -0.9806   -1.2030   -1.4861 C   0  0  0  0  0
   -0.6292   -2.3640   -1.4108 O   0  0  0  0  0
   -1.8620   -0.4792   -0.4217 C   0  0  0  0  0
   -2.1862   -0.9594    0.6465 O   0  0  0  0  0
   -2.2533    0.7499   -0.7894 O   0  0  0  0  0
   -0.6276   -0.4279   -2.5212 O   0  0  0  0  0
    3.4707   13.2625   -5.8067 H   0  0  0  0  0
    5.2790   13.2145   -5.3930 H   0  0  0  0  0
    2.9043   12.4415   -3.6066 H   0  0  0  0  0
    4.8792   12.9781   -1.9867 H   0  0  0  0  0
    5.9902   12.3119   -3.2017 H   0  0  0  0  0
    3.8076   10.8381   -1.7674 H   0  0  0  0  0
    4.0639    8.3445   -2.1760 H   0  0  0  0  0
    4.7979    8.8624   -0.6613 H   0  0  0  0  0
    6.4088    7.6955   -3.7944 H   0  0  0  0  0
    5.1719    6.5008   -3.4364 H   0  0  0  0  0
    6.7416    4.8865   -3.6498 H   0  0  0  0  0
    7.9102    6.1045   -3.9811 H   0  0  0  0  0
    9.0427    6.6695   -0.5623 H   0  0  0  0  0
    8.9515    7.3256   -2.1619 H   0  0  0  0  0
    6.9513    7.4825    0.0637 H   0  0  0  0  0
    7.5157    8.7155   -1.0455 H   0  0  0  0  0
    6.4353    5.1115   -0.6301 H   0  0  0  0  0
    4.7162    3.9753   -1.7156 H   0  0  0  0  0
    3.8215    1.9162   -2.7416 H   0  0  0  0  0
    5.3392    0.0268   -3.2781 H   0  0  0  0  0
    7.7674    0.2187   -2.8100 H   0  0  0  0  0
    8.6850    2.2792   -1.8281 H   0  0  0  0  0
    6.4678    3.9436    1.5010 H   0  0  0  0  0
    7.8149    3.3088    3.4695 H   0  0  0  0  0
   10.2882    3.2061    3.3142 H   0  0  0  0  0
   11.4160    3.7236    1.1654 H   0  0  0  0  0
   10.0864    4.3354   -0.8176 H   0  0  0  0  0
   -2.7849    1.0687   -0.0283 H   0  0  0  0  0
   -0.0966   -1.0195   -3.0926 H   0  0  0  0  0
  1  2  2  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  2  3  1  0  0  0
  2 35  1  0  0  0
  3  4  1  0  0  0
  3 36  1  0  0  0
  3 37  1  0  0  0
  4  5  1  0  0  0
  4 38  1  0  0  0
  5  7  1  0  0  0
  5  6  2  0  0  0
  7  8  1  0  0  0
  7 39  1  0  0  0
  7 40  1  0  0  0
  8 13  1  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
  9 41  1  0  0  0
  9 42  1  0  0  0
 10 11  1  0  0  0
 10 43  1  0  0  0
 10 44  1  0  0  0
 11 12  1  0  0  0
 11 14  1  0  0  0
 12 13  1  0  0  0
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 14 21  1  0  0  0
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 15 16  2  0  0  0
 15 20  1  0  0  0
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 24 25  1  0  0  0
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 25 58  1  0  0  0
 26 59  1  0  0  0
 27 32  1  0  0  0
 27 29  1  0  0  0
 27 28  2  0  0  0
 29 31  1  0  0  0
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 31 60  1  0  0  0
 32 61  1  0  0  0
M  END

>  <Chemical Name>
N-Allyl-2-(4-benzhydryl-piperazin-1-yl)-acetamide

>  <PubChem CID>
24747020

>  <Formula>
C24H29N3O5

>  <Molecular Weight>
439.512000

>  <IUPAC Name>
2-(4-benzhydrylpiperazin-1-yl)-N-prop-2-enylacetamide;oxalic acid

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
C=CCNC(=O)CN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3.C(=O)(C(=O)O)O

>  <Isomeric SMILES>
C=CCNC(=O)CN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3.C(=O)(C(=O)O)O

>  <InChI Std. ID>
InChI=1S/C22H27N3O.C2H2O4/c1-2-13-23-21(26)18-24-14-16-25(17-15-24)22(19-9-5-3-6-10-19)20-11-7-4-8-12-20;3-1(4)2(5)6/h2-12,22H,1,13-18H2,(H,23,26);(H,3,4)(H,5,6)

>  <InChI Key>
AAEINTORHBRERB-UHFFFAOYSA-N

