
 BDBM50054361

 55 58  0  0  0  0  0  0  0  0999 V2000
    8.2036    2.7334   -0.8809 C   0  0  0  0  0
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   12.5126   -4.1689    0.2480 C   0  0  0  0  0
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    9.8438   -4.9969   -0.8142 O   0  0  0  0  0
   10.1053   -0.3600   -1.5701 O   0  0  0  0  0
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    8.5209    2.9428    0.1454 H   0  0  0  0  0
    7.9807    3.6543   -1.4294 H   0  0  0  0  0
    6.5819    4.2139    0.3214 H   0  0  0  0  0
    4.4584    4.8607    1.3164 H   0  0  0  0  0
    2.5124    3.3239    1.2297 H   0  0  0  0  0
    2.7155    1.1432    0.1099 H   0  0  0  0  0
    3.9213   -0.8829    0.6750 H   0  0  0  0  0
    5.6856   -0.8383    0.6810 H   0  0  0  0  0
    4.9372   -3.1336    0.2441 H   0  0  0  0  0
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   14.4957   -3.9712    1.0795 H   0  0  0  0  0
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   12.9282   -4.7281   -0.5987 H   0  0  0  0  0
    9.1602   -0.3575   -1.7824 H   0  0  0  0  0
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M  END

>  <Chemical Name>
BDBM50054361

>  <PubChem CID>
53647464

>  <Formula>
C20H28N4O3

>  <Molecular Weight>
372.469000

>  <IUPAC Name>
1-hydroxy-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-one

>  <XlogP>
1.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
COC1=CC=CC=C1N2CCN(CC2)CCN3C(=C4CCCCN4C3=O)O

>  <Isomeric SMILES>
COC1=CC=CC=C1N2CCN(CC2)CCN3C(=C4CCCCN4C3=O)O

>  <InChI Std. ID>
InChI=1S/C20H28N4O3/c1-27-18-8-3-2-6-16(18)22-13-10-21(11-14-22)12-15-24-19(25)17-7-4-5-9-23(17)20(24)26/h2-3,6,8,25H,4-5,7,9-15H2,1H3

>  <InChI Key>
AKIGPOQNPHYIOW-UHFFFAOYSA-N

