
 CHEMBL2164911

 47 49  0  0  0  0  0  0  0  0999 V2000
    5.0518   -5.3249   -4.8249 C   0  0  0  0  0
    5.9325   -4.5452   -5.6905 N   0  0  0  0  0
    5.2089   -3.4547   -6.3773 C   0  0  0  0  0
    4.8455   -2.2502   -5.4870 C   0  0  0  0  0
    6.0139   -1.7563   -4.7492 N   0  0  0  0  0
    6.7483   -2.7969   -4.0246 C   0  0  0  0  0
    7.0830   -3.9883   -4.9451 C   0  0  0  0  0
    6.4276   -0.4353   -4.6457 C   0  0  0  0  0
    7.3985   -0.1244   -3.9471 O   0  0  0  0  0
    5.6789    0.6351   -5.4601 C   0  0  0  0  0
    5.8973    2.0221   -4.8095 C   0  0  0  0  0
    4.9181    3.0821   -5.2724 C   0  0  0  0  0
    3.5385    2.9298   -5.0648 C   0  0  0  0  0
    2.6410    3.8973   -5.5190 C   0  0  0  0  0
    3.1132    5.0372   -6.1645 C   0  0  0  0  0
    4.4824    5.2109   -6.3552 C   0  0  0  0  0
    5.3811    4.2381   -5.9132 C   0  0  0  0  0
    6.0890    0.6346   -6.9328 C   0  0  0  0  0
    5.1393    0.9492   -7.9194 C   0  0  0  0  0
    5.4922    0.9774   -9.2694 C   0  0  0  0  0
    6.7986    0.6891   -9.6565 C   0  0  0  0  0
    7.7541    0.3830   -8.6909 C   0  0  0  0  0
    7.4058    0.3642   -7.3380 C   0  0  0  0  0
    5.5997   -6.1668   -4.3873 H   0  0  0  0  0
    4.2316   -5.7585   -5.4078 H   0  0  0  0  0
    4.6163   -4.7407   -4.0084 H   0  0  0  0  0
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    5.8489   -3.0952   -7.1938 H   0  0  0  0  0
    4.3939   -1.4796   -6.1108 H   0  0  0  0  0
    4.0948   -2.5363   -4.7400 H   0  0  0  0  0
    7.6759   -2.4047   -3.5963 H   0  0  0  0  0
    6.1172   -3.1186   -3.1884 H   0  0  0  0  0
    7.8226   -3.6529   -5.6845 H   0  0  0  0  0
    7.5773   -4.7777   -4.3661 H   0  0  0  0  0
    4.6128    0.3992   -5.3812 H   0  0  0  0  0
    6.9271    2.3625   -4.9834 H   0  0  0  0  0
    5.7901    1.9450   -3.7187 H   0  0  0  0  0
    3.1500    2.0529   -4.5520 H   0  0  0  0  0
    1.5735    3.7625   -5.3661 H   0  0  0  0  0
    2.4157    5.7927   -6.5153 H   0  0  0  0  0
    4.8537    6.1043   -6.8507 H   0  0  0  0  0
    6.4460    4.3865   -6.0783 H   0  0  0  0  0
    4.1166    1.1947   -7.6410 H   0  0  0  0  0
    4.7480    1.2351  -10.0194 H   0  0  0  0  0
    7.0734    0.7128  -10.7070 H   0  0  0  0  0
    8.7765    0.1654   -8.9897 H   0  0  0  0  0
    8.1806    0.1384   -6.6067 H   0  0  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2  7  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 27  1  0  0  0
  3 28  1  0  0  0
  4  5  1  0  0  0
  4 29  1  0  0  0
  4 30  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
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  6 31  1  0  0  0
  6 32  1  0  0  0
  7 33  1  0  0  0
  7 34  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 18  1  0  0  0
 10 11  1  0  0  0
 10 35  1  0  0  0
 11 12  1  0  0  0
 11 36  1  0  0  0
 11 37  1  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 13 38  1  0  0  0
 14 15  2  0  0  0
 14 39  1  0  0  0
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 18 19  2  0  0  0
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 20 21  2  0  0  0
 20 44  1  0  0  0
 21 22  1  0  0  0
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 22 23  2  0  0  0
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 23 47  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2164911

>  <PubChem CID>
71449759

>  <Formula>
C20H24N2O

>  <Molecular Weight>
308.425000

>  <IUPAC Name>
1-(4-methylpiperazin-1-yl)-2,3-diphenylpropan-1-one

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CN1CCN(CC1)C(=O)C(CC2=CC=CC=C2)C3=CC=CC=C3

>  <Isomeric SMILES>
CN1CCN(CC1)C(=O)C(CC2=CC=CC=C2)C3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C20H24N2O/c1-21-12-14-22(15-13-21)20(23)19(18-10-6-3-7-11-18)16-17-8-4-2-5-9-17/h2-11,19H,12-16H2,1H3

>  <InChI Key>
AMEZAJPSLZEMQP-UHFFFAOYSA-N

