
 CHEMBL534709

 52 54  0  0  0  0  0  0  0  0999 V2000
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    0.8545   -1.7880    4.8861 C   0  0  0  0  0
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    3.7668    0.2085   -2.0443 Cl  0  0  0  0  0
    1.6241   -1.1719   -0.0177 H   0  0  0  0  0
    2.0773    0.4173    0.5942 H   0  0  0  0  0
    0.1943    0.4957   -1.0653 H   0  0  0  0  0
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    3.7688    1.5371   -2.4004 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
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  4  5  1  0  0  0
  4 33  1  0  0  0
  4 34  1  0  0  0
  5  6  1  0  0  0
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  5 36  1  0  0  0
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  6 37  1  0  0  0
  7 16  1  0  0  0
  7  8  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL534709

>  <PubChem CID>
10341022

>  <Formula>
C21H24ClN3O3

>  <Molecular Weight>
401.891000

>  <IUPAC Name>
2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-phenylacetamide;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CN(CCC1N2C3=CC=CC=C3COC2=O)CC(=O)NC4=CC=CC=C4.Cl

>  <Isomeric SMILES>
C1CN(CCC1N2C3=CC=CC=C3COC2=O)CC(=O)NC4=CC=CC=C4.Cl

>  <InChI Std. ID>
InChI=1S/C21H23N3O3.ClH/c25-20(22-17-7-2-1-3-8-17)14-23-12-10-18(11-13-23)24-19-9-5-4-6-16(19)15-27-21(24)26;/h1-9,18H,10-15H2,(H,22,25);1H

>  <InChI Key>
DDNAXUSZTLNOFG-UHFFFAOYSA-N

