
 SR-01000759095-1

 56 59  0  0  0  0  0  0  0  0999 V2000
    0.9046    0.2343    1.1164 C   0  0  0  0  0
    2.3705    0.1417    0.8717 C   0  0  0  0  0
    3.3114    1.1491    0.8587 C   0  0  0  0  0
    4.5903    0.5745    0.6076 C   0  0  0  0  0
    4.3913   -0.8029    0.5446 C   0  0  0  0  0
    3.0241   -1.0284    0.5352 N   0  0  0  0  0
    2.3644   -2.2943    0.1918 C   0  0  0  0  0
    1.4972   -2.2113   -1.0488 C   0  0  0  0  0
    1.8187   -1.3860   -2.1394 C   0  0  0  0  0
    0.9892   -1.3285   -3.2610 C   0  0  0  0  0
   -0.1551   -2.1190   -3.3238 C   0  0  0  0  0
   -0.4671   -2.9729   -2.2686 C   0  0  0  0  0
    0.3548   -3.0223   -1.1403 C   0  0  0  0  0
    5.3997   -1.9009    0.4490 C   0  0  0  0  0
    5.8733    1.2812    0.4576 C   0  0  0  0  0
    6.9244    0.6821    0.2192 O   0  0  0  0  0
    5.8245    2.8078    0.5539 C   0  0  0  0  0
    7.1487    3.3695    0.4394 N   0  0  0  0  0
    7.7617    3.7096   -0.7349 C   0  0  0  0  0
    7.2669    3.6553   -1.8509 O   0  0  0  0  0
    9.1757    4.2063   -0.4130 C   0  0  0  0  0
    9.1855    4.0114    1.0187 N   0  0  0  0  0
    7.9959    3.5185    1.4899 C   0  0  0  0  0
    7.7682    3.2785    2.6624 O   0  0  0  0  0
   10.2355    3.3980   -1.1581 C   0  0  0  0  0
   11.6867    3.7253   -0.8568 C   0  0  0  0  0
   12.6763    2.8837   -1.3915 C   0  0  0  0  0
   14.0291    3.1053   -1.1251 C   0  0  0  0  0
   14.4148    4.1715   -0.3181 C   0  0  0  0  0
   13.4497    5.0292    0.2011 C   0  0  0  0  0
   12.0972    4.8178   -0.0792 C   0  0  0  0  0
    0.6525    1.1958    1.5764 H   0  0  0  0  0
    0.5686   -0.5541    1.7968 H   0  0  0  0  0
    0.3442    0.1592    0.1803 H   0  0  0  0  0
    3.0824    2.1958    1.0160 H   0  0  0  0  0
    1.7753   -2.5763    1.0720 H   0  0  0  0  0
    3.1218   -3.0646    0.0272 H   0  0  0  0  0
    2.7090   -0.7596   -2.1195 H   0  0  0  0  0
    1.2380   -0.6636   -4.0844 H   0  0  0  0  0
   -0.8001   -2.0729   -4.1973 H   0  0  0  0  0
   -1.3530   -3.6003   -2.3236 H   0  0  0  0  0
    0.0918   -3.6972   -0.3284 H   0  0  0  0  0
    5.0578   -2.8053    0.9624 H   0  0  0  0  0
    6.3379   -1.6202    0.9372 H   0  0  0  0  0
    5.6078   -2.1429   -0.5968 H   0  0  0  0  0
    5.4055    3.0900    1.5252 H   0  0  0  0  0
    5.2008    3.1942   -0.2583 H   0  0  0  0  0
    9.2313    5.2798   -0.6203 H   0  0  0  0  0
    9.9686    4.1638    1.6410 H   0  0  0  0  0
   10.0823    3.5269   -2.2378 H   0  0  0  0  0
   10.0811    2.3310   -0.9439 H   0  0  0  0  0
   12.3956    2.0388   -2.0183 H   0  0  0  0  0
   14.7805    2.4403   -1.5427 H   0  0  0  0  0
   15.4658    4.3366   -0.0973 H   0  0  0  0  0
   13.7488    5.8656    0.8280 H   0  0  0  0  0
   11.3838    5.5245    0.3344 H   0  0  0  0  0
  1  2  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  2  3  2  0  0  0
  2  6  1  0  0  0
  3  4  1  0  0  0
  3 35  1  0  0  0
  4  5  2  0  0  0
  4 15  1  0  0  0
  5  6  1  0  0  0
  5 14  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 36  1  0  0  0
  7 37  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 38  1  0  0  0
 10 11  2  0  0  0
 10 39  1  0  0  0
 11 12  1  0  0  0
 11 40  1  0  0  0
 12 13  2  0  0  0
 12 41  1  0  0  0
 13 42  1  0  0  0
 14 43  1  0  0  0
 14 44  1  0  0  0
 14 45  1  0  0  0
 15 17  1  0  0  0
 15 16  2  0  0  0
 17 18  1  0  0  0
 17 46  1  0  0  0
 17 47  1  0  0  0
 18 23  1  0  0  0
 18 19  1  0  0  0
 19 21  1  0  0  0
 19 20  2  0  0  0
 21 22  1  0  0  0
 21 25  1  0  0  0
 21 48  1  0  0  0
 22 23  1  0  0  0
 22 49  1  0  0  0
 23 24  2  0  0  0
 25 26  1  0  0  0
 25 50  1  0  0  0
 25 51  1  0  0  0
 26 27  2  0  0  0
 26 31  1  0  0  0
 27 28  1  0  0  0
 27 52  1  0  0  0
 28 29  2  0  0  0
 28 53  1  0  0  0
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 30 31  2  0  0  0
 30 55  1  0  0  0
 31 56  1  0  0  0
M  END

>  <Chemical Name>
SR-01000759095-1

>  <PubChem CID>
16315617

>  <Formula>
C25H25N3O3

>  <Molecular Weight>
415.493000

>  <IUPAC Name>
5-benzyl-3-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)CN3C(=O)C(NC3=O)CC4=CC=CC=C4

>  <Isomeric SMILES>
CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)CN3C(=O)C(NC3=O)CC4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C25H25N3O3/c1-17-13-21(18(2)27(17)15-20-11-7-4-8-12-20)23(29)16-28-24(30)22(26-25(28)31)14-19-9-5-3-6-10-19/h3-13,22H,14-16H2,1-2H3,(H,26,31)

>  <InChI Key>
BHCZNTCIKKBOAN-UHFFFAOYSA-N

