
 BDBM40419

 58 61  0  0  0  0  0  0  0  0999 V2000
    2.6137   -2.2161   -0.6051 C   0  0  0  0  0
    2.0326   -1.1248   -1.3151 O   0  0  0  0  0
    2.7887    0.0156   -1.3447 C   0  0  0  0  0
    2.0721    1.2127   -1.3886 C   0  0  0  0  0
    2.7343    2.4461   -1.3725 C   0  0  0  0  0
    4.1409    2.4863   -1.3056 C   0  0  0  0  0
    4.8489    1.2686   -1.3263 C   0  0  0  0  0
    4.1790    0.0439   -1.3531 C   0  0  0  0  0
    4.9326    3.7786   -1.1227 C   0  0  0  0  0
    4.5500    4.4741    0.2045 C   0  0  0  0  0
    3.9511    5.7582   -0.2652 C   0  0  0  0  0
    3.3552    6.5667    0.4263 O   0  0  0  0  0
    4.2441    5.9414   -1.7401 C   0  0  0  0  0
    4.0998    6.9855   -2.3444 O   0  0  0  0  0
    4.7678    4.7452   -2.2054 N   0  0  0  0  0
    5.6064    4.7357   -3.3965 C   0  0  0  0  0
    5.3708    3.5418   -4.3068 C   0  0  0  0  0
    6.1829    3.6794   -5.5932 C   0  0  0  0  0
    5.9859    2.5603   -6.4912 N   0  0  0  0  0
    6.9174    1.6246   -6.8419 C   0  0  0  0  0
    6.2586    0.7785   -7.7037 C   0  0  0  0  0
    4.9618    1.1837   -7.8892 N   0  0  0  0  0
    4.8293    2.2646   -7.1542 C   0  0  0  0  0
    5.8054    4.7136    1.0019 C   0  0  0  0  0
    6.7220    5.3836    0.5219 O   0  0  0  0  0
    5.9975    4.0864    2.3465 C   0  0  0  0  0
    7.2491    4.2508    2.9626 C   0  0  0  0  0
    7.5120    3.6821    4.2100 C   0  0  0  0  0
    6.5263    2.9431    4.8567 C   0  0  0  0  0
    5.2796    2.7757    4.2585 C   0  0  0  0  0
    5.0118    3.3441    3.0081 C   0  0  0  0  0
    2.0876    3.6538   -1.3414 O   0  0  0  0  0
    0.7449    3.6728   -1.8200 C   0  0  0  0  0
    3.4126   -2.6829   -1.1889 H   0  0  0  0  0
    1.8334   -2.9669   -0.4475 H   0  0  0  0  0
    2.9791   -1.9039    0.3801 H   0  0  0  0  0
    0.9887    1.1490   -1.3906 H   0  0  0  0  0
    5.9372    1.2599   -1.3071 H   0  0  0  0  0
    4.7638   -0.8700   -1.3788 H   0  0  0  0  0
    5.9986    3.5169   -1.1122 H   0  0  0  0  0
    3.7859    3.9305    0.7579 H   0  0  0  0  0
    6.6502    4.7715   -3.0636 H   0  0  0  0  0
    5.4266    5.6602   -3.9586 H   0  0  0  0  0
    4.3006    3.4648   -4.5408 H   0  0  0  0  0
    5.6491    2.6111   -3.8009 H   0  0  0  0  0
    7.2535    3.7420   -5.3657 H   0  0  0  0  0
    5.9061    4.5864   -6.1458 H   0  0  0  0  0
    7.9320    1.6321   -6.4707 H   0  0  0  0  0
    6.6485   -0.0982   -8.2035 H   0  0  0  0  0
    3.9279    2.8575   -7.0625 H   0  0  0  0  0
    8.0327    4.8283    2.4747 H   0  0  0  0  0
    8.4846    3.8213    4.6757 H   0  0  0  0  0
    6.7275    2.5030    5.8310 H   0  0  0  0  0
    4.5078    2.2042    4.7705 H   0  0  0  0  0
    4.0199    3.1887    2.5998 H   0  0  0  0  0
    0.6715    3.2270   -2.8178 H   0  0  0  0  0
    0.4335    4.7187   -1.8961 H   0  0  0  0  0
    0.0701    3.1775   -1.1145 H   0  0  0  0  0
  1  2  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 37  1  0  0  0
  5  6  2  0  0  0
  5 32  1  0  0  0
  6  7  1  0  0  0
  6  9  1  0  0  0
  7  8  2  0  0  0
  7 38  1  0  0  0
  8 39  1  0  0  0
  9 15  1  0  0  0
  9 10  1  0  0  0
  9 40  1  0  0  0
 10 11  1  0  0  0
 10 24  1  0  0  0
 10 41  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13 15  1  0  0  0
 13 14  2  0  0  0
 15 16  1  0  0  0
 16 17  1  0  0  0
 16 42  1  0  0  0
 16 43  1  0  0  0
 17 18  1  0  0  0
 17 44  1  0  0  0
 17 45  1  0  0  0
 18 19  1  0  0  0
 18 46  1  0  0  0
 18 47  1  0  0  0
 19 20  1  0  0  0
 19 23  1  0  0  0
 20 21  2  0  0  0
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 21 22  1  0  0  0
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 24 26  1  0  0  0
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 26 27  2  0  0  0
 26 31  1  0  0  0
 27 28  1  0  0  0
 27 51  1  0  0  0
 28 29  2  0  0  0
 28 52  1  0  0  0
 29 30  1  0  0  0
 29 53  1  0  0  0
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 30 54  1  0  0  0
 31 55  1  0  0  0
 32 33  1  0  0  0
 33 56  1  0  0  0
 33 57  1  0  0  0
 33 58  1  0  0  0
M  END

>  <Chemical Name>
BDBM40419

>  <PubChem CID>
91896453

>  <Formula>
C25H25N3O5

>  <Molecular Weight>
447.491000

>  <IUPAC Name>
4-benzoyl-5-(2,4-dimethoxyphenyl)-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione

>  <XlogP>
2.5

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
COC1=CC(=C(C=C1)C2C(C(=O)C(=O)N2CCCN3C=CN=C3)C(=O)C4=CC=CC=C4)OC

>  <Isomeric SMILES>
COC1=CC(=C(C=C1)C2C(C(=O)C(=O)N2CCCN3C=CN=C3)C(=O)C4=CC=CC=C4)OC

>  <InChI Std. ID>
InChI=1S/C25H25N3O5/c1-32-18-9-10-19(20(15-18)33-2)22-21(23(29)17-7-4-3-5-8-17)24(30)25(31)28(22)13-6-12-27-14-11-26-16-27/h3-5,7-11,14-16,21-22H,6,12-13H2,1-2H3

>  <InChI Key>
CBNGMSIWABYHTM-UHFFFAOYSA-N

