
 CHEMBL236396

 72 76  0  0  0  0  0  0  0  0999 V2000
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    8.0213    2.3154   -3.0272 H   0  0  0  0  0
    8.3299   -0.0139   -4.0410 H   0  0  0  0  0
    8.1519   -0.6795   -2.4370 H   0  0  0  0  0
   12.1371   -0.0891   -0.3086 H   0  0  0  0  0
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   13.3811    2.3572   -6.2012 H   0  0  0  0  0
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    7.0399    0.7474    3.8494 H   0  0  0  0  0
    6.7808    0.4275    1.4590 H   0  0  0  0  0
  1  2  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL236396

>  <PubChem CID>
24803165

>  <Formula>
C31H35N3O3

>  <Molecular Weight>
497.639000

>  <IUPAC Name>
N-methyl-1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]-4-phenyl-N-(2-phenylethyl)piperidine-4-carboxamide

>  <XlogP>
4.5

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CN(CCC1=CC=CC=C1)C(=O)C2(CCN(CC2)CCN3C(=O)COC4=CC=CC=C43)C5=CC=CC=C5

>  <Isomeric SMILES>
CN(CCC1=CC=CC=C1)C(=O)C2(CCN(CC2)CCN3C(=O)COC4=CC=CC=C43)C5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C31H35N3O3/c1-32(19-16-25-10-4-2-5-11-25)30(36)31(26-12-6-3-7-13-26)17-20-33(21-18-31)22-23-34-27-14-8-9-15-28(27)37-24-29(34)35/h2-15H,16-24H2,1H3

>  <InChI Key>
LDGQXFYTLVIEGL-UHFFFAOYSA-N

