
 CHEMBL392142

 75 79  0  0  0  0  0  0  0  0999 V2000
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   12.0768   -0.2010   -0.4551 H   0  0  0  0  0
   11.7168    1.5036   -0.7511 H   0  0  0  0  0
   14.1117    1.4018   -4.1295 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL392142

>  <PubChem CID>
44435003

>  <Formula>
C32H37N3O3

>  <Molecular Weight>
511.666000

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

>  <XlogP>
4.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CN(CCCC1=CC=CC=C1)C(=O)C2(CCN(CC2)CCN3C(=O)COC4=CC=CC=C43)C5=CC=CC=C5

>  <Isomeric SMILES>
CN(CCCC1=CC=CC=C1)C(=O)C2(CCN(CC2)CCN3C(=O)COC4=CC=CC=C43)C5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C32H37N3O3/c1-33(20-10-13-26-11-4-2-5-12-26)31(37)32(27-14-6-3-7-15-27)18-21-34(22-19-32)23-24-35-28-16-8-9-17-29(28)38-25-30(35)36/h2-9,11-12,14-17H,10,13,18-25H2,1H3

>  <InChI Key>
MVYOUQRUXDXDKH-UHFFFAOYSA-N

