
 CHEMBL1818783

 57 60  0  0  0  0  0  0  0  0999 V2000
    2.4460    3.5367    0.8265 C   0  0  0  0  0
    2.0791    2.1431    1.0927 N   0  0  0  0  0
    0.6181    2.0205    1.1253 C   0  0  0  0  0
    2.6339    1.2155    0.0875 C   0  0  0  0  0
    4.1748    1.1690    0.0314 C   0  0  0  0  0
    4.6531    0.1979   -1.0573 C   0  0  0  0  0
    6.1682    0.3108   -1.2388 C   0  0  0  0  0
    6.9321    0.3357    0.0631 C   0  0  0  0  0
    6.2823    0.5390    1.2918 C   0  0  0  0  0
    4.7872    0.7427    1.3753 C   0  0  0  0  0
    7.0339    0.5339    2.4715 C   0  0  0  0  0
    8.4224    0.4069    2.4263 C   0  0  0  0  0
    9.0881    0.2905    1.2013 C   0  0  0  0  0
    8.3354    0.2278    0.0282 C   0  0  0  0  0
   10.4975    0.2651    1.2415 N   0  0  0  0  0
   11.3753    0.3561    0.1766 C   0  0  0  0  0
   11.0849    0.5034   -1.0044 O   0  0  0  0  0
   12.8211    0.3279    0.5602 C   0  0  0  0  0
   13.2796   -0.3953    1.6604 C   0  0  0  0  0
   14.6389   -0.3740    1.9986 C   0  0  0  0  0
   15.5849    0.3381    1.2368 C   0  0  0  0  0
   15.1008    1.0434    0.1191 C   0  0  0  0  0
   13.7388    1.0428   -0.2163 C   0  0  0  0  0
   17.0257    0.3264    1.5964 C   0  0  0  0  0
   17.6214   -0.8029    2.1936 C   0  0  0  0  0
   18.9734   -0.8185    2.5549 C   0  0  0  0  0
   19.7664    0.2956    2.3085 C   0  0  0  0  0
   19.2158    1.4228    1.7090 C   0  0  0  0  0
   17.8578    1.4382    1.3639 C   0  0  0  0  0
   21.4292    0.2784    2.7459 Cl  0  0  0  0  0
    3.5248    3.6910    0.9256 H   0  0  0  0  0
    1.9852    4.2029    1.5647 H   0  0  0  0  0
    2.1347    3.8631   -0.1720 H   0  0  0  0  0
    0.1849    2.7127    1.8575 H   0  0  0  0  0
    0.3250    1.0126    1.4378 H   0  0  0  0  0
    0.1648    2.2274    0.1490 H   0  0  0  0  0
    2.2469    1.4698   -0.9085 H   0  0  0  0  0
    2.2754    0.2020    0.3128 H   0  0  0  0  0
    4.5525    2.1644   -0.2369 H   0  0  0  0  0
    4.1605    0.4110   -2.0135 H   0  0  0  0  0
    4.3863   -0.8313   -0.7832 H   0  0  0  0  0
    6.3943    1.2371   -1.7817 H   0  0  0  0  0
    6.5130   -0.5279   -1.8556 H   0  0  0  0  0
    4.3327   -0.1948    1.7205 H   0  0  0  0  0
    4.5765    1.5115    2.1287 H   0  0  0  0  0
    6.5410    0.6552    3.4338 H   0  0  0  0  0
    8.9740    0.4340    3.3614 H   0  0  0  0  0
    8.8203    0.1046   -0.9362 H   0  0  0  0  0
   10.8969    0.3130    2.1694 H   0  0  0  0  0
   12.6075   -1.0032    2.2579 H   0  0  0  0  0
   14.9486   -0.9317    2.8810 H   0  0  0  0  0
   15.7822    1.5960   -0.5259 H   0  0  0  0  0
   13.4001    1.6020   -1.0878 H   0  0  0  0  0
   17.0393   -1.7031    2.3787 H   0  0  0  0  0
   19.3958   -1.7045    3.0212 H   0  0  0  0  0
   19.8314    2.2964    1.5115 H   0  0  0  0  0
   17.4572    2.3464    0.9168 H   0  0  0  0  0
  1  2  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 34  1  0  0  0
  3 35  1  0  0  0
  3 36  1  0  0  0
  4  5  1  0  0  0
  4 37  1  0  0  0
  4 38  1  0  0  0
  5  6  1  0  0  0
  5 10  1  0  0  0
  5 39  1  0  0  0
  6  7  1  0  0  0
  6 40  1  0  0  0
  6 41  1  0  0  0
  7  8  1  0  0  0
  7 42  1  0  0  0
  7 43  1  0  0  0
  8 14  1  0  0  0
  8  9  2  0  0  0
  9 11  1  0  0  0
  9 10  1  0  0  0
 10 44  1  0  0  0
 10 45  1  0  0  0
 11 12  2  0  0  0
 11 46  1  0  0  0
 12 13  1  0  0  0
 12 47  1  0  0  0
 13 14  2  0  0  0
 13 15  1  0  0  0
 14 48  1  0  0  0
 15 16  1  0  0  0
 15 49  1  0  0  0
 16 18  1  0  0  0
 16 17  2  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 19 50  1  0  0  0
 20 21  2  0  0  0
 20 51  1  0  0  0
 21 22  1  0  0  0
 21 24  1  0  0  0
 22 23  2  0  0  0
 22 52  1  0  0  0
 23 53  1  0  0  0
 24 25  2  0  0  0
 24 29  1  0  0  0
 25 26  1  0  0  0
 25 54  1  0  0  0
 26 27  2  0  0  0
 26 55  1  0  0  0
 27 28  1  0  0  0
 27 30  1  0  0  0
 28 29  2  0  0  0
 28 56  1  0  0  0
 29 57  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1818783

>  <PubChem CID>
23593464

>  <Formula>
C26H27ClN2O

>  <Molecular Weight>
418.965000

>  <IUPAC Name>
4-(4-chlorophenyl)-N-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]benzamide

>  <XlogP>
6.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CN(C)CC1CCC2=C(C1)C=CC(=C2)NC(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)Cl

>  <Isomeric SMILES>
CN(C)CC1CCC2=C(C1)C=CC(=C2)NC(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)Cl

>  <InChI Std. ID>
InChI=1S/C26H27ClN2O/c1-29(2)17-18-3-4-23-16-25(14-11-22(23)15-18)28-26(30)21-7-5-19(6-8-21)20-9-12-24(27)13-10-20/h5-14,16,18H,3-4,15,17H2,1-2H3,(H,28,30)

>  <InChI Key>
BXCOFLLLXKXLRK-UHFFFAOYSA-N

