
 CHEMBL360491

 54 56  0  0  0  0  0  0  0  0999 V2000
   -0.1639    3.5443    3.5421 C   0  0  0  0  0
    1.2447    2.9959    3.3366 C   0  0  0  0  0
    2.1474    3.9017    2.6055 N   0  0  0  0  0
    2.3170    5.2192    3.2423 C   0  0  0  0  0
    2.9340    5.2318    4.6378 C   0  0  0  0  0
    3.4218    3.2100    2.3381 C   0  0  0  0  0
    4.3055    3.9685    1.4344 C   0  0  0  0  0
    5.0220    4.6060    0.7175 C   0  0  0  0  0
    5.8678    5.4481   -0.1442 C   0  0  0  0  0
    5.2004    6.7010   -0.3999 N   0  0  0  0  0
    4.3714    6.9139   -1.4555 C   0  0  0  0  0
    4.1826    6.1751   -2.4090 O   0  0  0  0  0
    3.6377    8.1952   -1.2190 C   0  0  0  0  0
    4.5375    8.9686   -0.2252 C   0  0  0  0  0
    5.2799    7.7832    0.4322 C   0  0  0  0  0
    5.9108    7.8112    1.4829 O   0  0  0  0  0
    3.5896    9.7617    0.6969 C   0  0  0  0  0
    3.3698    9.4254    2.0433 C   0  0  0  0  0
    2.4446   10.1295    2.8201 C   0  0  0  0  0
    1.7173   11.1789    2.2673 C   0  0  0  0  0
    1.9201   11.5337    0.9379 C   0  0  0  0  0
    2.8475   10.8351    0.1613 C   0  0  0  0  0
    5.6180    9.8777   -0.8619 C   0  0  0  0  0
    5.7408   10.0947   -2.2452 C   0  0  0  0  0
    6.7749   10.8827   -2.7633 C   0  0  0  0  0
    7.7101   11.4649   -1.9139 C   0  0  0  0  0
    7.6048   11.2741   -0.5413 C   0  0  0  0  0
    6.5666   10.4979   -0.0213 C   0  0  0  0  0
   -0.8110    2.7606    3.9508 H   0  0  0  0  0
   -0.6011    3.8788    2.5958 H   0  0  0  0  0
   -0.1781    4.3785    4.2499 H   0  0  0  0  0
    1.1365    2.0688    2.7588 H   0  0  0  0  0
    1.6679    2.7091    4.3070 H   0  0  0  0  0
    1.3461    5.7270    3.2849 H   0  0  0  0  0
    2.9167    5.8681    2.5924 H   0  0  0  0  0
    2.3304    4.6686    5.3554 H   0  0  0  0  0
    2.9970    6.2629    5.0021 H   0  0  0  0  0
    3.9486    4.8234    4.6376 H   0  0  0  0  0
    3.2133    2.2503    1.8476 H   0  0  0  0  0
    3.9503    2.9738    3.2689 H   0  0  0  0  0
    6.0663    4.9401   -1.0933 H   0  0  0  0  0
    6.8255    5.6459    0.3492 H   0  0  0  0  0
    3.4238    8.7149   -2.1540 H   0  0  0  0  0
    2.6743    7.9144   -0.7708 H   0  0  0  0  0
    3.9031    8.6087    2.5238 H   0  0  0  0  0
    2.2907    9.8517    3.8600 H   0  0  0  0  0
    0.9941   11.7190    2.8725 H   0  0  0  0  0
    1.3536   12.3527    0.5020 H   0  0  0  0  0
    2.9799   11.1340   -0.8773 H   0  0  0  0  0
    5.0544    9.6598   -2.9650 H   0  0  0  0  0
    6.8534   11.0343   -3.8374 H   0  0  0  0  0
    8.5196   12.0645   -2.3213 H   0  0  0  0  0
    8.3338   11.7223    0.1291 H   0  0  0  0  0
    6.5160   10.3635    1.0596 H   0  0  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2  3  1  0  0  0
  2 32  1  0  0  0
  2 33  1  0  0  0
  3  6  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4 34  1  0  0  0
  4 35  1  0  0  0
  5 36  1  0  0  0
  5 37  1  0  0  0
  5 38  1  0  0  0
  6  7  1  0  0  0
  6 39  1  0  0  0
  6 40  1  0  0  0
  7  8  3  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
  9 41  1  0  0  0
  9 42  1  0  0  0
 10 15  1  0  0  0
 10 11  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13 14  1  0  0  0
 13 43  1  0  0  0
 13 44  1  0  0  0
 14 15  1  0  0  0
 14 23  1  0  0  0
 14 17  1  0  0  0
 15 16  2  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 18 45  1  0  0  0
 19 20  2  0  0  0
 19 46  1  0  0  0
 20 21  1  0  0  0
 20 47  1  0  0  0
 21 22  2  0  0  0
 21 48  1  0  0  0
 22 49  1  0  0  0
 23 24  2  0  0  0
 23 28  1  0  0  0
 24 25  1  0  0  0
 24 50  1  0  0  0
 25 26  2  0  0  0
 25 51  1  0  0  0
 26 27  1  0  0  0
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 27 28  2  0  0  0
 27 53  1  0  0  0
 28 54  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL360491

>  <PubChem CID>
10248845

>  <Formula>
C24H26N2O2

>  <Molecular Weight>
374.484000

>  <IUPAC Name>
1-[4-(diethylamino)but-2-ynyl]-3,3-diphenylpyrrolidine-2,5-dione

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCN(CC)CC#CCN1C(=O)CC(C1=O)(C2=CC=CC=C2)C3=CC=CC=C3

>  <Isomeric SMILES>
CCN(CC)CC#CCN1C(=O)CC(C1=O)(C2=CC=CC=C2)C3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C24H26N2O2/c1-3-25(4-2)17-11-12-18-26-22(27)19-24(23(26)28,20-13-7-5-8-14-20)21-15-9-6-10-16-21/h5-10,13-16H,3-4,17-19H2,1-2H3

>  <InChI Key>
CBISQPJLYSUKOF-UHFFFAOYSA-N

