
 2-{3-[4-(2-methoxyphenyl)-1-piperazinyl]propyl}tetrahydro-1H-pyrrolo[1,2-c]imidazole-1,3(2H)-dione

 55 58  0  0  0  0  0  0  0  0999 V2000
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    3.6372    1.1996   -0.5693 N   0  0  0  0  0
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    3.8538   -1.0383    0.5486 C   0  0  0  0  0
    4.5992   -1.6179   -0.6045 N   0  0  0  0  0
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    4.3060    0.6364   -1.7574 C   0  0  0  0  0
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    8.4439   -1.7959   -1.1406 C   0  0  0  0  0
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    8.5905   -0.0617    1.2185 O   0  0  0  0  0
    9.1876    1.7744   -0.2684 C   0  0  0  0  0
   10.4106    2.3729    0.4101 C   0  0  0  0  0
   11.5276    2.2259   -0.6273 C   0  0  0  0  0
   10.7878    2.3084   -1.9594 C   0  0  0  0  0
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    3.2042    6.4633    0.1462 H   0  0  0  0  0
    1.4801    4.8937    0.9979 H   0  0  0  0  0
    1.7265    2.4745    0.6309 H   0  0  0  0  0
    3.2448    0.8006    1.4886 H   0  0  0  0  0
    4.9525    0.7899    1.0462 H   0  0  0  0  0
    4.1797   -1.5172    1.4804 H   0  0  0  0  0
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   10.5640    3.3485   -2.2178 H   0  0  0  0  0
   11.3380    1.8301   -2.7744 H   0  0  0  0  0
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M  END

>  <Chemical Name>
2-{3-[4-(2-methoxyphenyl)-1-piperazinyl]propyl}tetrahydro-1H-pyrrolo[1,2-c]imidazole-1,3(2H)-dione

>  <PubChem CID>
4188516

>  <Formula>
C20H28N4O3

>  <Molecular Weight>
372.469000

>  <IUPAC Name>
2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione

>  <XlogP>
1.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
COC1=CC=CC=C1N2CCN(CC2)CCCN3C(=O)C4CCCN4C3=O

>  <Isomeric SMILES>
COC1=CC=CC=C1N2CCN(CC2)CCCN3C(=O)C4CCCN4C3=O

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

>  <InChI Key>
AAKOYVKAXOHXBZ-UHFFFAOYSA-N

