
 SMR000354270

 70 74  0  0  0  0  0  0  0  0999 V2000
    6.4037   -1.1990    1.0610 C   0  0  0  0  0
    6.0396   -1.1350    2.5375 C   0  0  0  0  0
    4.7860   -0.2972    2.7721 C   0  0  0  0  0
    3.5595   -0.7399    1.9347 C   0  0  0  0  0
    3.9658   -0.9250    0.4553 C   0  0  0  0  0
    5.2441   -1.7389    0.2368 C   0  0  0  0  0
    2.7673   -1.8057    2.6019 N   0  0  0  0  0
    2.9304   -3.1541    2.2094 C   0  0  0  0  0
    3.2864   -4.1188    3.1484 C   0  0  0  0  0
    3.3869   -5.4501    2.7449 C   0  0  0  0  0
    3.1178   -5.7858    1.4261 C   0  0  0  0  0
    2.7632   -4.7709    0.5581 C   0  0  0  0  0
    2.6659   -3.4759    0.9241 N   0  0  0  0  0
    2.0001   -1.4283    3.7211 C   0  0  0  0  0
    2.1341   -0.3310    4.2638 O   0  0  0  0  0
    0.9043   -2.3001    4.2608 C   0  0  0  0  0
    0.5573   -2.1565    5.6145 C   0  0  0  0  0
   -0.5460   -2.8369    6.1604 C   0  0  0  0  0
   -1.3187   -3.6565    5.3312 C   0  0  0  0  0
   -0.9721   -3.8186    3.9873 C   0  0  0  0  0
    0.1168   -3.1247    3.4488 C   0  0  0  0  0
   -0.9469   -2.4940    7.5603 C   0  0  0  0  0
   -0.8718   -1.2914    7.8112 O   0  0  0  0  0
   -1.3974   -3.4626    8.4800 N   0  0  0  0  0
   -2.2448   -3.0891    9.6663 C   0  0  0  0  0
   -2.1114   -4.0732   10.8673 C   0  0  0  0  0
   -0.7345   -3.9961   11.5302 C   0  0  0  0  0
   -0.4194   -2.5847   12.0137 C   0  0  0  0  0
   -0.6299   -1.5448   10.9179 C   0  0  0  0  0
   -2.0113   -1.6824   10.2740 C   0  0  0  0  0
   -1.3852   -4.8455    8.1492 C   0  0  0  0  0
   -0.1817   -5.4647    7.8178 C   0  0  0  0  0
   -0.1822   -6.8264    7.5268 C   0  0  0  0  0
   -1.3775   -7.5330    7.5708 C   0  0  0  0  0
   -2.5273   -6.8460    7.9144 C   0  0  0  0  0
   -2.5528   -5.5271    8.2073 N   0  0  0  0  0
    6.6757   -0.1988    0.7015 H   0  0  0  0  0
    7.2845   -1.8365    0.9238 H   0  0  0  0  0
    6.8761   -0.6969    3.0951 H   0  0  0  0  0
    5.8914   -2.1470    2.9304 H   0  0  0  0  0
    4.5655   -0.2911    3.8444 H   0  0  0  0  0
    5.0211    0.7422    2.5039 H   0  0  0  0  0
    2.8764    0.1228    1.9315 H   0  0  0  0  0
    3.1405   -1.3265   -0.1408 H   0  0  0  0  0
    4.1546    0.0760    0.0413 H   0  0  0  0  0
    5.0940   -2.7908    0.4939 H   0  0  0  0  0
    5.5104   -1.7179   -0.8260 H   0  0  0  0  0
    3.5075   -3.8457    4.1747 H   0  0  0  0  0
    3.6758   -6.2179    3.4569 H   0  0  0  0  0
    3.1861   -6.8117    1.0792 H   0  0  0  0  0
    2.5402   -4.9723   -0.4871 H   0  0  0  0  0
    1.1113   -1.4548    6.2390 H   0  0  0  0  0
   -2.2209   -4.1382    5.7015 H   0  0  0  0  0
   -1.5831   -4.4469    3.3428 H   0  0  0  0  0
    0.3008   -3.2024    2.3799 H   0  0  0  0  0
   -3.2816   -3.1162    9.3044 H   0  0  0  0  0
   -2.3182   -5.1104   10.5945 H   0  0  0  0  0
   -2.8745   -3.8183   11.6159 H   0  0  0  0  0
   -0.6998   -4.6863   12.3811 H   0  0  0  0  0
    0.0389   -4.3241   10.8265 H   0  0  0  0  0
   -1.0650   -2.3438   12.8673 H   0  0  0  0  0
    0.6139   -2.5388   12.3760 H   0  0  0  0  0
   -0.5227   -0.5412   11.3448 H   0  0  0  0  0
    0.1574   -1.6524   10.1638 H   0  0  0  0  0
   -2.7681   -1.5111   11.0532 H   0  0  0  0  0
   -2.1891   -0.8829    9.5509 H   0  0  0  0  0
    0.7500   -4.9094    7.8200 H   0  0  0  0  0
    0.7458   -7.3337    7.2790 H   0  0  0  0  0
   -1.4121   -8.5944    7.3526 H   0  0  0  0  0
   -3.4868   -7.3494    7.9713 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 37  1  0  0  0
  1 38  1  0  0  0
  2  3  1  0  0  0
  2 39  1  0  0  0
  2 40  1  0  0  0
  3  4  1  0  0  0
  3 41  1  0  0  0
  3 42  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  4 43  1  0  0  0
  5  6  1  0  0  0
  5 44  1  0  0  0
  5 45  1  0  0  0
  6 46  1  0  0  0
  6 47  1  0  0  0
  7 14  1  0  0  0
  7  8  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 48  1  0  0  0
 10 11  2  0  0  0
 10 49  1  0  0  0
 11 12  1  0  0  0
 11 50  1  0  0  0
 12 13  2  0  0  0
 12 51  1  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 52  1  0  0  0
 18 19  2  0  0  0
 18 22  1  0  0  0
 19 20  1  0  0  0
 19 53  1  0  0  0
 20 21  2  0  0  0
 20 54  1  0  0  0
 21 55  1  0  0  0
 22 24  1  0  0  0
 22 23  2  0  0  0
 24 31  1  0  0  0
 24 25  1  0  0  0
 25 30  1  0  0  0
 25 26  1  0  0  0
 25 56  1  0  0  0
 26 27  1  0  0  0
 26 57  1  0  0  0
 26 58  1  0  0  0
 27 28  1  0  0  0
 27 59  1  0  0  0
 27 60  1  0  0  0
 28 29  1  0  0  0
 28 61  1  0  0  0
 28 62  1  0  0  0
 29 30  1  0  0  0
 29 63  1  0  0  0
 29 64  1  0  0  0
 30 65  1  0  0  0
 30 66  1  0  0  0
 31 32  2  0  0  0
 31 36  1  0  0  0
 32 33  1  0  0  0
 32 67  1  0  0  0
 33 34  2  0  0  0
 33 68  1  0  0  0
 34 35  1  0  0  0
 34 69  1  0  0  0
 35 36  2  0  0  0
 35 70  1  0  0  0
M  END

>  <Chemical Name>
SMR000354270

>  <PubChem CID>
5047011

>  <Formula>
C30H34N4O2

>  <Molecular Weight>
482.628000

>  <IUPAC Name>
1-N,3-N-dicyclohexyl-1-N,3-N-dipyridin-2-ylbenzene-1,3-dicarboxamide

>  <XlogP>
6.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CCC(CC1)N(C2=CC=CC=N2)C(=O)C3=CC(=CC=C3)C(=O)N(C4CCCCC4)C5=CC=CC=N5

>  <Isomeric SMILES>
C1CCC(CC1)N(C2=CC=CC=N2)C(=O)C3=CC(=CC=C3)C(=O)N(C4CCCCC4)C5=CC=CC=N5

>  <InChI Std. ID>
InChI=1S/C30H34N4O2/c35-29(33(25-14-3-1-4-15-25)27-18-7-9-20-31-27)23-12-11-13-24(22-23)30(36)34(26-16-5-2-6-17-26)28-19-8-10-21-32-28/h7-13,18-22,25-26H,1-6,14-17H2

>  <InChI Key>
GFMOZPMHGVTGCW-UHFFFAOYSA-N

