
 CHEMBL538323

 55 57  0  0  0  0  0  0  0  0999 V2000
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    2.1160    4.5299   -3.1212 Cl  0  0  0  0  0
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    1.0137   -6.6351    0.5647 H   0  0  0  0  0
    0.5488   -5.3736    1.8140 H   0  0  0  0  0
    2.4960   -7.5676    3.4718 H   0  0  0  0  0
    4.8834   -7.6348    3.9491 H   0  0  0  0  0
    6.4650   -6.3031    2.6237 H   0  0  0  0  0
    5.8670   -3.5603    0.9316 H   0  0  0  0  0
    6.9384   -4.9759    0.6461 H   0  0  0  0  0
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  1 32  1  0  0  0
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  2  7  1  0  0  0
  3  4  1  0  0  0
  3 33  1  0  0  0
  4  5  2  0  0  0
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  5 35  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL538323

>  <PubChem CID>
10001923

>  <Formula>
C22H26ClN3O3

>  <Molecular Weight>
415.918000

>  <IUPAC Name>
2-[4-(8-methyl-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>
CC1=CC=CC2=C1N(C(=O)OC2)C3CCN(CC3)CC(=O)NC4=CC=CC=C4.Cl

>  <Isomeric SMILES>
CC1=CC=CC2=C1N(C(=O)OC2)C3CCN(CC3)CC(=O)NC4=CC=CC=C4.Cl

>  <InChI Std. ID>
InChI=1S/C22H25N3O3.ClH/c1-16-6-5-7-17-15-28-22(27)25(21(16)17)19-10-12-24(13-11-19)14-20(26)23-18-8-3-2-4-9-18;/h2-9,19H,10-15H2,1H3,(H,23,26);1H

>  <InChI Key>
XPDQHUUKMBHHOT-UHFFFAOYSA-N

