
 MLS001018872

 49 51  0  0  0  0  0  0  0  0999 V2000
    2.2481    1.8477    3.7904 C   0  0  0  0  0
    3.5578    1.4808    3.0764 C   0  0  0  0  0
    3.3199    1.1358    1.6581 N   0  0  0  0  0
    2.8147    2.3424    0.9683 C   0  0  0  0  0
    1.6530    2.9788    1.6814 C   0  0  0  0  0
    1.3662    2.7750    2.9833 C   0  0  0  0  0
    0.2131    3.4208    3.6664 C   0  0  0  0  0
   -0.3042    4.6531    3.2333 C   0  0  0  0  0
   -1.3737    5.2668    3.8949 C   0  0  0  0  0
   -1.9405    4.6660    5.0135 C   0  0  0  0  0
   -1.4397    3.4516    5.4691 C   0  0  0  0  0
   -0.3748    2.8364    4.8012 C   0  0  0  0  0
    4.5950    0.6574    1.0692 C   0  0  0  0  0
    4.4331    0.0332   -0.3148 C   0  0  0  0  0
    5.4096   -0.1668   -1.0376 O   0  0  0  0  0
    3.1593   -0.4080   -0.6098 N   0  0  0  0  0
    2.6440   -0.5926   -1.8688 C   0  0  0  0  0
    1.4323   -0.5126   -2.0638 O   0  0  0  0  0
    3.5607   -0.8096   -2.8491 N   0  0  0  0  0
    3.2223   -1.1572   -4.2046 C   0  0  0  0  0
    3.4475   -2.6277   -4.4422 C   0  0  0  0  0
    4.7152   -3.1098   -4.8004 C   0  0  0  0  0
    4.9279   -4.4775   -4.9800 C   0  0  0  0  0
    3.8784   -5.3764   -4.7980 C   0  0  0  0  0
    2.6170   -4.9097   -4.4311 C   0  0  0  0  0
    2.4027   -3.5434   -4.2486 C   0  0  0  0  0
    2.5054    2.3115    4.7514 H   0  0  0  0  0
    1.6976    0.9223    4.0020 H   0  0  0  0  0
    4.2716    2.3127    3.1573 H   0  0  0  0  0
    4.0001    0.6286    3.6073 H   0  0  0  0  0
    2.4734    2.0772   -0.0380 H   0  0  0  0  0
    3.6022    3.0975    0.8528 H   0  0  0  0  0
    1.0365    3.6226    1.0617 H   0  0  0  0  0
    0.1254    5.1698    2.3793 H   0  0  0  0  0
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    5.0138   -0.1377    1.6981 H   0  0  0  0  0
    5.3292    1.4691    1.0023 H   0  0  0  0  0
    2.4529   -0.1840    0.0852 H   0  0  0  0  0
    4.5255   -0.9263   -2.5511 H   0  0  0  0  0
    3.8672   -0.5681   -4.8663 H   0  0  0  0  0
    2.1861   -0.8816   -4.4312 H   0  0  0  0  0
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    5.9134   -4.8423   -5.2560 H   0  0  0  0  0
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    1.8003   -5.6104   -4.2794 H   0  0  0  0  0
    1.4189   -3.1904   -3.9446 H   0  0  0  0  0
  1  2  1  0  0  0
  1  6  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
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  2 30  1  0  0  0
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 12 38  1  0  0  0
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M  END

>  <Chemical Name>
MLS001018872

>  <PubChem CID>
2088165

>  <Formula>
C21H23N3O2

>  <Molecular Weight>
349.434000

>  <IUPAC Name>
N-(benzylcarbamoyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide

>  <XlogP>
3.100

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CN(CC=C1C2=CC=CC=C2)CC(=O)NC(=O)NCC3=CC=CC=C3

>  <Isomeric SMILES>
C1CN(CC=C1C2=CC=CC=C2)CC(=O)NC(=O)NCC3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C21H23N3O2/c25-20(23-21(26)22-15-17-7-3-1-4-8-17)16-24-13-11-19(12-14-24)18-9-5-2-6-10-18/h1-11H,12-16H2,(H2,22,23,25,26)

>  <InChI Key>
CJUYJMAMNXOQKN-UHFFFAOYSA-N

