
 CHEMBL543640

 44 46  0  0  0  0  0  0  0  0999 V2000
    4.4129   -0.1235    0.0855 C   0  0  0  0  0
    3.0743    0.1464   -0.6241 C   0  0  0  0  0
    2.6909   -0.9883   -1.5801 C   0  0  0  0  0
    2.6705   -0.6916   -2.9574 C   0  0  0  0  0
    2.3187   -1.6553   -3.8982 C   0  0  0  0  0
    1.9811   -2.9413   -3.4948 C   0  0  0  0  0
    1.9843   -3.2802   -2.1367 C   0  0  0  0  0
    1.6338   -4.5829   -1.7480 C   0  0  0  0  0
    1.6204   -4.9356   -0.4004 C   0  0  0  0  0
    1.9467   -3.9930    0.5717 C   0  0  0  0  0
    2.2955   -2.6904    0.2059 C   0  0  0  0  0
    2.3330   -2.3079   -1.1554 C   0  0  0  0  0
    1.9963    0.4208    0.3186 N   0  0  0  0  0
    0.7526    0.7911   -0.1109 C   0  0  0  0  0
    0.5275    0.9059   -1.3074 O   0  0  0  0  0
   -0.3502    1.0501    0.8413 C   0  0  0  0  0
   -0.2876    1.0175    2.2360 C   0  0  0  0  0
   -1.5637    1.3125    2.6677 C   0  0  0  0  0
   -2.0915    1.4185    3.9521 C   0  0  0  0  0
   -3.4591    1.7319    4.0801 C   0  0  0  0  0
   -4.2574    1.9301    2.9291 C   0  0  0  0  0
   -3.6918    1.8180    1.6454 C   0  0  0  0  0
   -2.3371    1.5076    1.5557 C   0  0  0  0  0
   -1.6087    1.3538    0.4403 N   0  0  0  0  0
   -2.5342   -5.1814    1.7587 Cl  0  0  0  0  0
    4.6807    0.7486    0.7196 H   0  0  0  0  0
    5.2148   -0.2571   -0.6717 H   0  0  0  0  0
    4.4077   -1.0201    0.7306 H   0  0  0  0  0
    3.2490    1.0791   -1.2067 H   0  0  0  0  0
    2.9263    0.3009   -3.3075 H   0  0  0  0  0
    2.3070   -1.4008   -4.9503 H   0  0  0  0  0
    1.7098   -3.6753   -4.2448 H   0  0  0  0  0
    1.3688   -5.3263   -2.4907 H   0  0  0  0  0
    1.3503   -5.9422   -0.1081 H   0  0  0  0  0
    1.9274   -4.2721    1.6174 H   0  0  0  0  0
    2.5242   -2.0005    0.9980 H   0  0  0  0  0
    2.1828    0.3369    1.3279 H   0  0  0  0  0
    0.5689    0.8066    2.8614 H   0  0  0  0  0
   -1.4718    1.2636    4.8257 H   0  0  0  0  0
   -3.9018    1.8204    5.0635 H   0  0  0  0  0
   -5.3078    2.1684    3.0348 H   0  0  0  0  0
   -4.2914    1.9665    0.7564 H   0  0  0  0  0
   -1.9508    1.4445   -0.5426 H   0  0  0  0  0
   -3.4006   -5.7951    0.8837 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 13  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
  3  4  2  0  0  0
  3 12  1  0  0  0
  4  5  1  0  0  0
  4 30  1  0  0  0
  5  6  2  0  0  0
  5 31  1  0  0  0
  6  7  1  0  0  0
  6 32  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 33  1  0  0  0
  9 10  2  0  0  0
  9 34  1  0  0  0
 10 11  1  0  0  0
 10 35  1  0  0  0
 11 12  2  0  0  0
 11 36  1  0  0  0
 13 14  1  0  0  0
 13 37  1  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
 16 24  1  0  0  0
 16 17  2  0  0  0
 17 18  1  0  0  0
 17 38  1  0  0  0
 18 23  1  0  0  0
 18 19  2  0  0  0
 19 20  1  0  0  0
 19 39  1  0  0  0
 20 21  2  0  0  0
 20 40  1  0  0  0
 21 22  1  0  0  0
 21 41  1  0  0  0
 22 23  2  0  0  0
 22 42  1  0  0  0
 23 24  1  0  0  0
 24 43  1  0  0  0
 25 44  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL543640

>  <PubChem CID>
45261589

>  <Formula>
C21H19ClN2O

>  <Molecular Weight>
350.846000

>  <IUPAC Name>
N-(1-naphthalen-1-ylethyl)-1H-indole-2-carboxamide;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
CC(C1=CC=CC2=CC=CC=C21)NC(=O)C3=CC4=CC=CC=C4N3.Cl

>  <Isomeric SMILES>
CC(C1=CC=CC2=CC=CC=C21)NC(=O)C3=CC4=CC=CC=C4N3.Cl

>  <InChI Std. ID>
InChI=1S/C21H18N2O.ClH/c1-14(17-11-6-9-15-7-2-4-10-18(15)17)22-21(24)20-13-16-8-3-5-12-19(16)23-20;/h2-14,23H,1H3,(H,22,24);1H

>  <InChI Key>
CEUKJZFELKQKGY-UHFFFAOYSA-N

