
 CHEMBL1079561

 60 64  0  0  0  0  0  0  0  0999 V2000
    2.5426    2.0437   -4.0739 C   0  0  0  0  0
    3.0943    3.2960   -3.6294 N   0  0  0  0  0
    2.3090    4.3410   -3.1906 C   0  0  0  0  0
    1.0806    4.3309   -3.2339 O   0  0  0  0  0
    3.0892    5.5760   -2.7468 C   0  0  0  0  0
    3.9969    5.2741   -1.6670 N   0  0  0  0  0
    3.7087    5.3635   -0.3048 C   0  0  0  0  0
    2.5393    5.7196    0.3351 C   0  0  0  0  0
    2.5435    5.7007    1.7323 C   0  0  0  0  0
    3.6994    5.3297    2.4464 C   0  0  0  0  0
    4.8750    4.9717    1.7778 C   0  0  0  0  0
    4.8598    4.9996    0.3967 C   0  0  0  0  0
    5.8725    4.6838   -0.5401 N   0  0  0  0  0
    5.3056    4.7892   -1.8316 C   0  0  0  0  0
    5.7804    4.4668   -2.9098 O   0  0  0  0  0
    7.2510    4.3520   -0.1495 C   0  0  0  0  0
    8.1307    3.7123   -1.2345 C   0  0  0  0  0
    8.7313    4.7245   -2.2156 C   0  0  0  0  0
    9.3856    5.8556   -1.5511 N   0  0  0  0  0
    8.4770    6.5291   -0.6201 C   0  0  0  0  0
    7.9957    5.5559    0.4519 C   0  0  0  0  0
   10.0110    6.7946   -2.5099 C   0  0  0  0  0
    9.0704    7.6282   -3.3623 C   0  0  0  0  0
    8.4328    7.0713   -4.4815 C   0  0  0  0  0
    7.4587    7.7808   -5.2004 C   0  0  0  0  0
    6.7535    7.1795   -6.2553 C   0  0  0  0  0
    5.7671    7.8842   -6.9451 C   0  0  0  0  0
    5.4837    9.2012   -6.5982 C   0  0  0  0  0
    6.1804    9.8138   -5.5544 C   0  0  0  0  0
    7.1650    9.1121   -4.8376 C   0  0  0  0  0
    7.8519    9.6940   -3.7602 C   0  0  0  0  0
    8.7844    8.9564   -3.0238 C   0  0  0  0  0
    3.1413    1.6836   -4.9137 H   0  0  0  0  0
    1.5002    2.1547   -4.3822 H   0  0  0  0  0
    2.6062    1.3290   -3.2497 H   0  0  0  0  0
    4.1059    3.3894   -3.5537 H   0  0  0  0  0
    2.3938    6.3657   -2.4466 H   0  0  0  0  0
    3.6629    5.9402   -3.6067 H   0  0  0  0  0
    1.6427    5.9912   -0.2095 H   0  0  0  0  0
    1.6401    5.9689    2.2768 H   0  0  0  0  0
    3.6730    5.3151    3.5345 H   0  0  0  0  0
    5.7523    4.6748    2.3390 H   0  0  0  0  0
    7.1413    3.5955    0.6393 H   0  0  0  0  0
    7.5783    2.9386   -1.7810 H   0  0  0  0  0
    8.9636    3.1969   -0.7366 H   0  0  0  0  0
    9.4609    4.1949   -2.8402 H   0  0  0  0  0
    7.9489    5.0789   -2.8810 H   0  0  0  0  0
    9.0050    7.3497   -0.1182 H   0  0  0  0  0
    7.6093    6.9617   -1.1332 H   0  0  0  0  0
    8.8648    5.1885    1.0143 H   0  0  0  0  0
    7.3750    6.0990    1.1710 H   0  0  0  0  0
   10.6944    6.2443   -3.1708 H   0  0  0  0  0
   10.6687    7.4699   -1.9452 H   0  0  0  0  0
    8.6654    6.0484   -4.7727 H   0  0  0  0  0
    6.9571    6.1467   -6.5323 H   0  0  0  0  0
    5.2193    7.4002   -7.7492 H   0  0  0  0  0
    4.7158    9.7503   -7.1345 H   0  0  0  0  0
    5.9408   10.8424   -5.2942 H   0  0  0  0  0
    7.6452   10.7210   -3.4695 H   0  0  0  0  0
    9.2721    9.4228   -2.1715 H   0  0  0  0  0
  1  2  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  2  3  1  0  0  0
  2 36  1  0  0  0
  3  5  1  0  0  0
  3  4  2  0  0  0
  5  6  1  0  0  0
  5 37  1  0  0  0
  5 38  1  0  0  0
  6 14  1  0  0  0
  6  7  1  0  0  0
  7 12  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  8 39  1  0  0  0
  9 10  2  0  0  0
  9 40  1  0  0  0
 10 11  1  0  0  0
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 32 60  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1079561

>  <PubChem CID>
46879476

>  <Formula>
C26H28N4O2

>  <Molecular Weight>
428.536000

>  <IUPAC Name>
N-methyl-2-[3-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]acetamide

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CNC(=O)CN1C2=CC=CC=C2N(C1=O)C3CCN(CC3)CC4=CC5=CC=CC=C5C=C4

>  <Isomeric SMILES>
CNC(=O)CN1C2=CC=CC=C2N(C1=O)C3CCN(CC3)CC4=CC5=CC=CC=C5C=C4

>  <InChI Std. ID>
InChI=1S/C26H28N4O2/c1-27-25(31)18-29-23-8-4-5-9-24(23)30(26(29)32)22-12-14-28(15-13-22)17-19-10-11-20-6-2-3-7-21(20)16-19/h2-11,16,22H,12-15,17-18H2,1H3,(H,27,31)

>  <InChI Key>
AZOXTSAKHFHPFD-UHFFFAOYSA-N

