
 CHEMBL182403

 65 68  0  0  0  0  0  0  0  0999 V2000
    3.7283    0.6577   -0.6465 C   0  0  0  0  0
    2.4193    0.1697   -0.2178 N   0  0  0  0  0
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    3.9525    2.8465    2.9736 C   0  0  0  0  0
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    3.7668    0.6613   -1.7391 H   0  0  0  0  0
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    1.3575   -3.9219    0.2843 H   0  0  0  0  0
    2.8404   -3.5686   -2.9900 H   0  0  0  0  0
    1.3725   -3.5355   -2.0620 H   0  0  0  0  0
    3.5904   -1.4637   -2.0556 H   0  0  0  0  0
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    4.7953   -2.7461   -0.6641 H   0  0  0  0  0
    5.0281   -3.8023   -2.9296 H   0  0  0  0  0
    5.1641   -5.3836   -2.1881 H   0  0  0  0  0
    6.9618   -2.9654   -1.6330 H   0  0  0  0  0
    6.2973   -6.5277   -0.6353 H   0  0  0  0  0
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    2.9074    0.0837    5.4896 H   0  0  0  0  0
    4.7895    1.6060    6.0299 H   0  0  0  0  0
    5.4573    3.3765    4.4246 H   0  0  0  0  0
    4.2514    3.6264    2.2757 H   0  0  0  0  0
  1  2  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  2 24  1  0  0  0
  2  3  1  0  0  0
  3  8  1  0  0  0
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  3 37  1  0  0  0
  4  5  1  0  0  0
  4 38  1  0  0  0
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  5  6  1  0  0  0
  5 40  1  0  0  0
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  6  7  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL182403

>  <PubChem CID>
44392135

>  <Formula>
C29H32N2O2

>  <Molecular Weight>
440.587000

>  <IUPAC Name>
N-[1-(3,3-diphenylpropyl)piperidin-4-yl]-N-methyl-2-oxo-2-phenylacetamide

>  <XlogP>
5.6

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CN(C1CCN(CC1)CCC(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C(=O)C4=CC=CC=C4

>  <Isomeric SMILES>
CN(C1CCN(CC1)CCC(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C(=O)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C29H32N2O2/c1-30(29(33)28(32)25-15-9-4-10-16-25)26-17-20-31(21-18-26)22-19-27(23-11-5-2-6-12-23)24-13-7-3-8-14-24/h2-16,26-27H,17-22H2,1H3

>  <InChI Key>
AOOVCNDFEQLFRU-UHFFFAOYSA-N

