
 CHEMBL440928

 59 62  0  0  0  0  0  0  0  0999 V2000
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    0.3061   -3.8331    2.4218 N   0  0  0  0  0
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   -4.7544    1.7723   -0.6631 H   0  0  0  0  0
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   -3.1081    1.0816    3.4512 H   0  0  0  0  0
   -4.3154    2.2319    3.0098 H   0  0  0  0  0
   -4.1798   -0.6462    1.9736 H   0  0  0  0  0
   -5.1211   -0.0702    3.3075 H   0  0  0  0  0
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    4.5554   -2.5940    5.3931 H   0  0  0  0  0
    3.6843   -0.9837    3.7175 H   0  0  0  0  0
    1.7747   -1.5434    2.3423 H   0  0  0  0  0
  1  9  1  0  0  0
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  5  6  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL440928

>  <PubChem CID>
9885004

>  <Formula>
C22H33N3O

>  <Molecular Weight>
355.526000

>  <IUPAC Name>
8-cyclononyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

>  <XlogP>
4.700

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CCCCC(CCC1)N2CCC3(CC2)C(=O)NCN3C4=CC=CC=C4

>  <Isomeric SMILES>
C1CCCCC(CCC1)N2CCC3(CC2)C(=O)NCN3C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C22H33N3O/c26-21-22(25(18-23-21)20-12-8-5-9-13-20)14-16-24(17-15-22)19-10-6-3-1-2-4-7-11-19/h5,8-9,12-13,19H,1-4,6-7,10-11,14-18H2,(H,23,26)

>  <InChI Key>
IAUDPLBTMXJMKC-UHFFFAOYSA-N

