
 CHEMBL3260801

 43 46  0  0  0  0  0  0  0  0999 V2000
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    2.4463   -0.8947   -0.6269 C   0  0  0  0  0
    2.9735    0.4221   -0.2501 N   0  0  0  0  0
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   -4.1691    2.0746   -0.9172 C   0  0  0  0  0
   -5.6638    2.1716   -1.1694 C   0  0  0  0  0
   -6.0590    0.8398   -1.5231 O   0  0  0  0  0
   -5.0298   -0.0304   -1.2719 C   0  0  0  0  0
   -5.1796   -1.2333   -1.4096 O   0  0  0  0  0
   -6.4454    2.7097    0.0171 C   0  0  0  0  0
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   -5.3540    5.1838   -0.4649 Cl  0  0  0  0  0
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    2.5534    2.4423   -0.2775 H   0  0  0  0  0
    1.1283    1.2641    1.5214 H   0  0  0  0  0
    0.3916    2.4991    0.5296 H   0  0  0  0  0
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   -8.4173    4.0787    3.1039 H   0  0  0  0  0
   -6.9583    5.5913    1.8025 H   0  0  0  0  0
  1  2  1  0  0  0
  1  7  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2  3  1  0  0  0
  2 27  1  0  0  0
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  3  4  1  0  0  0
  3 29  1  0  0  0
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  4 31  1  0  0  0
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  6  7  2  0  0  0
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  7  8  1  0  0  0
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  9 10  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3260801

>  <PubChem CID>
90656168

>  <Formula>
C19H19ClN2O2

>  <Molecular Weight>
342.823000

>  <IUPAC Name>
5-(2-chlorophenyl)-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,3-oxazolidin-2-one

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CNCCC2=C1C=CC(=C2)N3CC(OC3=O)C4=CC=CC=C4Cl

>  <Isomeric SMILES>
C1CNCCC2=C1C=CC(=C2)N3CC(OC3=O)C4=CC=CC=C4Cl

>  <InChI Std. ID>
InChI=1S/C19H19ClN2O2/c20-17-4-2-1-3-16(17)18-12-22(19(23)24-18)15-6-5-13-7-9-21-10-8-14(13)11-15/h1-6,11,18,21H,7-10,12H2

>  <InChI Key>
AOCRQCFKVGZSSD-UHFFFAOYSA-N

