
 AC1MN97W

 52 56  0  0  0  0  0  0  0  0999 V2000
    1.3630   -0.0573    2.8514 C   0  0  0  0  0
    0.9583   -1.3813    3.0441 C   0  0  0  0  0
   -0.3354   -1.7943    2.7156 C   0  0  0  0  0
   -1.1724   -0.8247    2.1693 C   0  0  0  0  0
   -0.8109    0.5002    1.9566 C   0  0  0  0  0
    0.4864    0.9017    2.3180 C   0  0  0  0  0
   -1.9463    1.1161    1.3634 C   0  0  0  0  0
   -2.8966    0.1268    1.1800 C   0  0  0  0  0
   -2.4413   -1.0364    1.7399 O   0  0  0  0  0
   -4.1895    0.1540    0.5153 C   0  0  0  0  0
   -4.7513    1.2120    0.2375 O   0  0  0  0  0
   -4.7970   -1.1362    0.0913 C   0  0  0  0  0
   -6.1046   -1.3655   -0.0835 C   0  0  0  0  0
   -6.2587   -2.7982   -0.4323 C   0  0  0  0  0
   -7.3377   -3.3423   -0.5808 O   0  0  0  0  0
   -4.9954   -3.3427   -0.4885 N   0  0  0  0  0
   -3.9736   -2.3466   -0.2214 C   0  0  0  0  0
   -3.0237   -2.1845   -1.3822 C   0  0  0  0  0
   -1.6693   -2.4690   -1.2228 C   0  0  0  0  0
   -0.7450   -2.3552   -2.2018 N   0  0  0  0  0
   -1.1815   -1.9267   -3.4042 C   0  0  0  0  0
   -2.5032   -1.6189   -3.6745 C   0  0  0  0  0
   -3.4360   -1.7548   -2.6500 C   0  0  0  0  0
   -4.7093   -4.7727   -0.5440 C   0  0  0  0  0
   -4.0110   -5.2590    0.7274 C   0  0  0  0  0
   -3.7945   -6.7663    0.7488 C   0  0  0  0  0
   -3.0496   -7.1616    1.9310 N   0  0  0  0  0
   -1.6891   -7.2236    2.0479 C   0  0  0  0  0
   -1.4633   -7.5990    3.3519 C   0  0  0  0  0
   -2.6481   -7.7594    4.0228 N   0  0  0  0  0
   -3.5859   -7.4925    3.1418 C   0  0  0  0  0
   -7.1654   -0.5296    0.0851 O   0  0  0  0  0
    2.3779    0.2355    3.1135 H   0  0  0  0  0
    1.6621   -2.1041    3.4533 H   0  0  0  0  0
   -0.6648   -2.8165    2.8574 H   0  0  0  0  0
    0.8168    1.9238    2.1664 H   0  0  0  0  0
   -2.0425    2.1437    1.0397 H   0  0  0  0  0
   -3.4556   -2.6879    0.6747 H   0  0  0  0  0
   -1.2669   -2.8078   -0.2712 H   0  0  0  0  0
   -0.4163   -1.8343   -4.1697 H   0  0  0  0  0
   -2.8010   -1.2799   -4.6607 H   0  0  0  0  0
   -4.4792   -1.5204   -2.8510 H   0  0  0  0  0
   -4.0794   -4.9554   -1.4211 H   0  0  0  0  0
   -5.6502   -5.3149   -0.6872 H   0  0  0  0  0
   -4.5907   -4.9519    1.6081 H   0  0  0  0  0
   -3.0335   -4.7695    0.8212 H   0  0  0  0  0
   -3.2214   -7.0963   -0.1250 H   0  0  0  0  0
   -4.7473   -7.3061    0.7567 H   0  0  0  0  0
   -1.0151   -7.0018    1.2320 H   0  0  0  0  0
   -0.5128   -7.7595    3.8447 H   0  0  0  0  0
   -4.6513   -7.5158    3.3315 H   0  0  0  0  0
   -7.9608   -1.0566   -0.1326 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 33  1  0  0  0
  2  3  1  0  0  0
  2 34  1  0  0  0
  3  4  2  0  0  0
  3 35  1  0  0  0
  4  9  1  0  0  0
  4  5  1  0  0  0
  5  7  1  0  0  0
  5  6  2  0  0  0
  6 36  1  0  0  0
  7  8  2  0  0  0
  7 37  1  0  0  0
  8  9  1  0  0  0
  8 10  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 13 32  1  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
 16 17  1  0  0  0
 16 24  1  0  0  0
 17 18  1  0  0  0
 17 38  1  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 19 39  1  0  0  0
 20 21  2  0  0  0
 21 22  1  0  0  0
 21 40  1  0  0  0
 22 23  2  0  0  0
 22 41  1  0  0  0
 23 42  1  0  0  0
 24 25  1  0  0  0
 24 43  1  0  0  0
 24 44  1  0  0  0
 25 26  1  0  0  0
 25 45  1  0  0  0
 25 46  1  0  0  0
 26 27  1  0  0  0
 26 47  1  0  0  0
 26 48  1  0  0  0
 27 28  1  0  0  0
 27 31  1  0  0  0
 28 29  2  0  0  0
 28 49  1  0  0  0
 29 30  1  0  0  0
 29 50  1  0  0  0
 30 31  2  0  0  0
 31 51  1  0  0  0
 32 52  1  0  0  0
M  END

>  <Chemical Name>
AC1MN97W

>  <PubChem CID>
3274349

>  <Formula>
C24H20N4O4

>  <Molecular Weight>
428.448000

>  <IUPAC Name>
3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-pyridin-3-yl-2H-pyrrol-5-one

>  <XlogP>
2.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1=CC=C2C(=C1)C=C(O2)C(=O)C3=C(C(=O)N(C3C4=CN=CC=C4)CCCN5C=CN=C5)O

>  <Isomeric SMILES>
C1=CC=C2C(=C1)C=C(O2)C(=O)C3=C(C(=O)N(C3C4=CN=CC=C4)CCCN5C=CN=C5)O

>  <InChI Std. ID>
InChI=1S/C24H20N4O4/c29-22(19-13-16-5-1-2-7-18(16)32-19)20-21(17-6-3-8-25-14-17)28(24(31)23(20)30)11-4-10-27-12-9-26-15-27/h1-3,5-9,12-15,21,30H,4,10-11H2

>  <InChI Key>
CEQNTDUYECRXCN-UHFFFAOYSA-N

