
 CHEMBL2013219

 65 67  0  0  0  0  0  0  0  0999 V2000
    2.8298   -0.5646   -2.4872 C   0  0  0  0  0
    3.0612    0.8286   -1.9612 C   0  0  0  0  0
    3.0005    1.9553   -2.7032 C   0  0  0  0  0
    2.7300    2.0865   -4.1422 C   0  0  0  0  0
    3.6195    2.8262   -4.9306 C   0  0  0  0  0
    3.3681    3.0248   -6.2909 C   0  0  0  0  0
    2.2225    2.4879   -6.8746 C   0  0  0  0  0
    1.3215    1.7647   -6.0964 C   0  0  0  0  0
    1.5667    1.5779   -4.7331 C   0  0  0  0  0
    3.2644    0.9375   -0.4631 C   0  0  0  0  0
    4.6741    0.8321   -0.0699 N   0  0  0  0  0
    5.3265   -0.4748   -0.1778 C   0  0  0  0  0
    6.3643   -0.5624   -1.3041 C   0  0  0  0  0
    7.1122   -1.9032   -1.2686 C   0  0  0  0  0
    6.1967   -3.1072   -1.5029 C   0  0  0  0  0
    7.0966   -4.1830   -2.0990 C   0  0  0  0  0
    8.4311   -3.4966   -2.3448 C   0  0  0  0  0
    8.0978   -2.0692   -2.3500 N   0  0  0  0  0
    9.2899   -1.2465   -2.1727 C   0  0  0  0  0
    5.4238    1.8501    0.5292 C   0  0  0  0  0
    6.6195    1.7387    0.8056 O   0  0  0  0  0
    4.7841    3.1220    0.9188 C   0  0  0  0  0
    5.2986    4.3177    0.4189 C   0  0  0  0  0
    4.7692    5.5273    0.8679 C   0  0  0  0  0
    3.7095    5.5617    1.7922 C   0  0  0  0  0
    3.2162    4.3548    2.2974 C   0  0  0  0  0
    3.7683    3.1391    1.8807 C   0  0  0  0  0
    3.2328    6.8019    2.1267 O   0  0  0  0  0
    2.3574    6.8813    3.2434 C   0  0  0  0  0
    5.2992    6.6740    0.3326 O   0  0  0  0  0
    6.1117    7.3629    1.2855 C   0  0  0  0  0
    2.1180   -1.0985   -1.8492 H   0  0  0  0  0
    3.7602   -1.1327   -2.5072 H   0  0  0  0  0
    2.4273   -0.5927   -3.5005 H   0  0  0  0  0
    3.1830    2.9155   -2.2186 H   0  0  0  0  0
    4.5172    3.2555   -4.4903 H   0  0  0  0  0
    4.0662    3.6012   -6.8917 H   0  0  0  0  0
    2.0288    2.6406   -7.9331 H   0  0  0  0  0
    0.4224    1.3527   -6.5472 H   0  0  0  0  0
    0.8381    1.0354   -4.1368 H   0  0  0  0  0
    2.7024    0.1621    0.0704 H   0  0  0  0  0
    2.8362    1.8857   -0.1321 H   0  0  0  0  0
    4.5576   -1.2463   -0.2842 H   0  0  0  0  0
    5.8238   -0.6723    0.7810 H   0  0  0  0  0
    7.0831    0.2576   -1.2018 H   0  0  0  0  0
    5.8839   -0.4151   -2.2778 H   0  0  0  0  0
    7.6037   -2.0198   -0.2917 H   0  0  0  0  0
    5.3964   -2.8732   -2.2148 H   0  0  0  0  0
    5.7286   -3.4503   -0.5743 H   0  0  0  0  0
    7.2095   -5.0327   -1.4174 H   0  0  0  0  0
    6.6648   -4.5569   -3.0342 H   0  0  0  0  0
    9.1251   -3.7479   -1.5321 H   0  0  0  0  0
    8.8787   -3.8153   -3.2915 H   0  0  0  0  0
    9.0481   -0.1823   -2.2551 H   0  0  0  0  0
   10.0197   -1.4604   -2.9617 H   0  0  0  0  0
    9.7743   -1.4169   -1.2044 H   0  0  0  0  0
    6.1198    4.3092   -0.2925 H   0  0  0  0  0
    2.4067    4.3255    3.0189 H   0  0  0  0  0
    3.4062    2.2082    2.3096 H   0  0  0  0  0
    2.1438    7.9390    3.4266 H   0  0  0  0  0
    2.8301    6.4761    4.1445 H   0  0  0  0  0
    1.4053    6.3819    3.0369 H   0  0  0  0  0
    7.1628    7.2141    1.0191 H   0  0  0  0  0
    5.9639    7.0425    2.3242 H   0  0  0  0  0
    5.8871    8.4314    1.2182 H   0  0  0  0  0
  1  2  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  2 10  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 35  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 36  1  0  0  0
  6  7  2  0  0  0
  6 37  1  0  0  0
  7  8  1  0  0  0
  7 38  1  0  0  0
  8  9  2  0  0  0
  8 39  1  0  0  0
  9 40  1  0  0  0
 10 11  1  0  0  0
 10 41  1  0  0  0
 10 42  1  0  0  0
 11 20  1  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 12 43  1  0  0  0
 12 44  1  0  0  0
 13 14  1  0  0  0
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 13 46  1  0  0  0
 14 18  1  0  0  0
 14 15  1  0  0  0
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 15 16  1  0  0  0
 15 48  1  0  0  0
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 19 54  1  0  0  0
 19 55  1  0  0  0
 19 56  1  0  0  0
 20 22  1  0  0  0
 20 21  2  0  0  0
 22 23  2  0  0  0
 22 27  1  0  0  0
 23 24  1  0  0  0
 23 57  1  0  0  0
 24 25  2  0  0  0
 24 30  1  0  0  0
 25 26  1  0  0  0
 25 28  1  0  0  0
 26 27  2  0  0  0
 26 58  1  0  0  0
 27 59  1  0  0  0
 28 29  1  0  0  0
 29 60  1  0  0  0
 29 61  1  0  0  0
 29 62  1  0  0  0
 30 31  1  0  0  0
 31 63  1  0  0  0
 31 64  1  0  0  0
 31 65  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2013219

>  <PubChem CID>
10093732

>  <Formula>
C26H34N2O3

>  <Molecular Weight>
422.569000

>  <IUPAC Name>
3,4-dimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide

>  <XlogP>
5.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(=CC1=CC=CC=C1)CN(CCC2CCCN2C)C(=O)C3=CC(=C(C=C3)OC)OC

>  <Isomeric SMILES>
C/C(=C\C1=CC=CC=C1)/CN(CCC2CCCN2C)C(=O)C3=CC(=C(C=C3)OC)OC

>  <InChI Std. ID>
InChI=1S/C26H34N2O3/c1-20(17-21-9-6-5-7-10-21)19-28(16-14-23-11-8-15-27(23)2)26(29)22-12-13-24(30-3)25(18-22)31-4/h5-7,9-10,12-13,17-18,23H,8,11,14-16,19H2,1-4H3/b20-17+

>  <InChI Key>
BKSVQXNMVYSZEC-LVZFUZTISA-N

