
 CHEMBL553250

 67 70  0  0  0  0  0  0  0  0999 V2000
    3.4267   -0.9642   -2.1332 C   0  0  0  0  0
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    1.5515    3.0907   -1.7537 H   0  0  0  0  0
  1  2  1  0  0  0
  1 38  1  0  0  0
  1 39  1  0  0  0
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  2  3  2  0  0  0
  2  7  1  0  0  0
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 32 33  1  0  0  0
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 34 35  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL553250

>  <PubChem CID>
10006875

>  <Formula>
C29H30ClN3O4

>  <Molecular Weight>
520.026000

>  <IUPAC Name>
N-(2-benzoylphenyl)-2-[4-(8-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=CC=CC2=C1N(C(=O)OC2)C3CCN(CC3)CC(=O)NC4=CC=CC=C4C(=O)C5=CC=CC=C5.Cl

>  <Isomeric SMILES>
CC1=CC=CC2=C1N(C(=O)OC2)C3CCN(CC3)CC(=O)NC4=CC=CC=C4C(=O)C5=CC=CC=C5.Cl

>  <InChI Std. ID>
InChI=1S/C29H29N3O4.ClH/c1-20-8-7-11-22-19-36-29(35)32(27(20)22)23-14-16-31(17-15-23)18-26(33)30-25-13-6-5-12-24(25)28(34)21-9-3-2-4-10-21;/h2-13,23H,14-19H2,1H3,(H,30,33);1H

>  <InChI Key>
IXJMQJPSBHBEGP-UHFFFAOYSA-N

