
 CHEMBL2407937

 47 49  0  0  0  0  0  0  0  0999 V2000
    5.6820   -1.8040   -5.5775 C   0  0  0  0  0
    5.4328   -2.0621   -4.1597 N   0  0  0  0  0
    5.1295   -3.4460   -3.8087 C   0  0  0  0  0
    5.9922   -1.2064   -3.2062 C   0  0  0  0  0
    6.1720   -1.5829   -1.8632 C   0  0  0  0  0
    6.6690   -0.6987   -0.8899 C   0  0  0  0  0
    6.9867    0.6198   -1.2225 C   0  0  0  0  0
    6.8425    1.0083   -2.5572 C   0  0  0  0  0
    6.3579    0.1124   -3.5207 C   0  0  0  0  0
    7.3852    1.6566   -0.1743 C   0  0  0  0  0
    6.1469    2.0668    0.6499 C   0  0  0  0  0
    5.1216    2.7964   -0.1978 C   0  0  0  0  0
    5.4086    3.8341   -0.7947 O   0  0  0  0  0
    3.7159    2.3062   -0.2440 C   0  0  0  0  0
    3.3844    0.9610   -0.1031 C   0  0  0  0  0
    2.0457    0.6133   -0.1544 C   0  0  0  0  0
    1.0452    1.5021   -0.3261 N   0  0  0  0  0
    1.3954    2.7964   -0.4796 C   0  0  0  0  0
    2.7031    3.2436   -0.4511 C   0  0  0  0  0
    8.5981    1.2402    0.6628 C   0  0  0  0  0
    9.8466    1.1114    0.0265 C   0  0  0  0  0
   10.9997    0.8092    0.7543 C   0  0  0  0  0
   10.9273    0.6297    2.1324 C   0  0  0  0  0
    9.6998    0.7376    2.7796 C   0  0  0  0  0
    8.5438    1.0338    2.0512 C   0  0  0  0  0
    5.2598   -0.8435   -5.8911 H   0  0  0  0  0
    5.2026   -2.5598   -6.2101 H   0  0  0  0  0
    6.7549   -1.8240   -5.7967 H   0  0  0  0  0
    4.6231   -3.9616   -4.6330 H   0  0  0  0  0
    4.4426   -3.4962   -2.9569 H   0  0  0  0  0
    6.0439   -4.0035   -3.5794 H   0  0  0  0  0
    5.9217   -2.5858   -1.5300 H   0  0  0  0  0
    6.7765   -1.0515    0.1333 H   0  0  0  0  0
    7.0714    2.0281   -2.8630 H   0  0  0  0  0
    6.2429    0.4993   -4.5288 H   0  0  0  0  0
    7.7198    2.5599   -0.7067 H   0  0  0  0  0
    6.4304    2.7810    1.4349 H   0  0  0  0  0
    5.7049    1.2115    1.1695 H   0  0  0  0  0
    4.1251    0.1823    0.0165 H   0  0  0  0  0
    1.7324   -0.4232   -0.0598 H   0  0  0  0  0
    0.5701    3.4865   -0.6311 H   0  0  0  0  0
    2.9255    4.2976   -0.5827 H   0  0  0  0  0
    9.9292    1.2603   -1.0488 H   0  0  0  0  0
   11.9559    0.7247    0.2446 H   0  0  0  0  0
   11.8264    0.4095    2.7017 H   0  0  0  0  0
    9.6419    0.6020    3.8565 H   0  0  0  0  0
    7.6109    1.1160    2.6012 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 29  1  0  0  0
  3 30  1  0  0  0
  3 31  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 32  1  0  0  0
  6  7  2  0  0  0
  6 33  1  0  0  0
  7  8  1  0  0  0
  7 10  1  0  0  0
  8  9  2  0  0  0
  8 34  1  0  0  0
  9 35  1  0  0  0
 10 20  1  0  0  0
 10 11  1  0  0  0
 10 36  1  0  0  0
 11 12  1  0  0  0
 11 37  1  0  0  0
 11 38  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 15 39  1  0  0  0
 16 17  2  0  0  0
 16 40  1  0  0  0
 17 18  1  0  0  0
 18 19  2  0  0  0
 18 41  1  0  0  0
 19 42  1  0  0  0
 20 21  2  0  0  0
 20 25  1  0  0  0
 21 22  1  0  0  0
 21 43  1  0  0  0
 22 23  2  0  0  0
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 23 24  1  0  0  0
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 24 25  2  0  0  0
 24 46  1  0  0  0
 25 47  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2407937

>  <PubChem CID>
66668687

>  <Formula>
C22H22N2O

>  <Molecular Weight>
330.431000

>  <IUPAC Name>
3-[4-(dimethylamino)phenyl]-3-phenyl-1-pyridin-4-ylpropan-1-one

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CN(C)C1=CC=C(C=C1)C(CC(=O)C2=CC=NC=C2)C3=CC=CC=C3

>  <Isomeric SMILES>
CN(C)C1=CC=C(C=C1)C(CC(=O)C2=CC=NC=C2)C3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C22H22N2O/c1-24(2)20-10-8-18(9-11-20)21(17-6-4-3-5-7-17)16-22(25)19-12-14-23-15-13-19/h3-15,21H,16H2,1-2H3

>  <InChI Key>
BOUMIFMLXHKHKV-UHFFFAOYSA-N

