
 1307803-46-8

 47 50  0  0  0  0  0  0  0  0999 V2000
   -1.1326    4.9169   -1.9575 C   0  0  0  0  0
    0.2928    4.7180   -1.4554 C   0  0  0  0  0
    0.4039    3.4339   -0.6365 C   0  0  0  0  0
    1.8271    3.1137   -0.1706 C   0  0  0  0  0
    2.4575    4.0929    0.7000 N   0  0  0  0  0
    3.5894    4.7946    0.3629 C   0  0  0  0  0
    4.0266    5.5055    1.4685 C   0  0  0  0  0
    3.1383    5.1592    2.5481 C   0  0  0  0  0
    2.1291    4.3389    2.0161 C   0  0  0  0  0
    1.0469    3.8928    2.7959 C   0  0  0  0  0
    0.9886    4.2670    4.1421 C   0  0  0  0  0
    1.9988    5.0312    4.7092 C   0  0  0  0  0
    3.0687    5.4721    3.9281 C   0  0  0  0  0
    4.0317    6.2024    4.5937 O   0  0  0  0  0
    5.1830    6.4163    1.5405 C   0  0  0  0  0
    5.6555    6.7423    2.6253 O   0  0  0  0  0
    5.7449    6.9951    0.2812 C   0  0  0  0  0
    4.8370    7.4801   -0.6778 C   0  0  0  0  0
    5.2891    7.9893   -1.8884 C   0  0  0  0  0
    6.6555    8.0439   -2.1423 C   0  0  0  0  0
    7.5903    7.6248   -1.1840 C   0  0  0  0  0
    8.9626    7.7352   -1.4640 C   0  0  0  0  0
    9.9206    7.3645   -0.5232 C   0  0  0  0  0
    9.5164    6.8676    0.7084 C   0  0  0  0  0
    8.1550    6.7265    0.9925 C   0  0  0  0  0
    7.1500    7.1012    0.0629 C   0  0  0  0  0
   -1.2115    5.8471   -2.5245 H   0  0  0  0  0
   -1.8389    4.9659   -1.1219 H   0  0  0  0  0
   -1.4360    4.0919   -2.6123 H   0  0  0  0  0
    0.5777    5.5809   -0.8464 H   0  0  0  0  0
    0.9742    4.6785   -2.3125 H   0  0  0  0  0
    0.0565    2.5896   -1.2486 H   0  0  0  0  0
   -0.2766    3.4919    0.2174 H   0  0  0  0  0
    2.4763    2.9750   -1.0433 H   0  0  0  0  0
    1.8300    2.1651    0.3783 H   0  0  0  0  0
    3.9992    4.7200   -0.6371 H   0  0  0  0  0
    0.2607    3.2739    2.3802 H   0  0  0  0  0
    0.1530    3.9437    4.7548 H   0  0  0  0  0
    1.9637    5.2904    5.7636 H   0  0  0  0  0
    4.7571    6.4014    3.9586 H   0  0  0  0  0
    3.7651    7.4680   -0.4869 H   0  0  0  0  0
    4.5811    8.3462   -2.6307 H   0  0  0  0  0
    6.9912    8.4424   -3.0988 H   0  0  0  0  0
    9.2991    8.1252   -2.4208 H   0  0  0  0  0
   10.9777    7.4707   -0.7503 H   0  0  0  0  0
   10.2570    6.5924    1.4540 H   0  0  0  0  0
    7.8908    6.3360    1.9710 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  3  1  0  0  0
  2 30  1  0  0  0
  2 31  1  0  0  0
  3  4  1  0  0  0
  3 32  1  0  0  0
  3 33  1  0  0  0
  4  5  1  0  0  0
  4 34  1  0  0  0
  4 35  1  0  0  0
  5  6  1  0  0  0
  5  9  1  0  0  0
  6  7  2  0  0  0
  6 36  1  0  0  0
  7  8  1  0  0  0
  7 15  1  0  0  0
  8 13  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 10 37  1  0  0  0
 11 12  1  0  0  0
 11 38  1  0  0  0
 12 13  2  0  0  0
 12 39  1  0  0  0
 13 14  1  0  0  0
 14 40  1  0  0  0
 15 17  1  0  0  0
 15 16  2  0  0  0
 17 18  2  0  0  0
 17 26  1  0  0  0
 18 19  1  0  0  0
 18 41  1  0  0  0
 19 20  2  0  0  0
 19 42  1  0  0  0
 20 21  1  0  0  0
 20 43  1  0  0  0
 21 22  2  0  0  0
 21 26  1  0  0  0
 22 23  1  0  0  0
 22 44  1  0  0  0
 23 24  2  0  0  0
 23 45  1  0  0  0
 24 25  1  0  0  0
 24 46  1  0  0  0
 25 26  2  0  0  0
 25 47  1  0  0  0
M  END

>  <Chemical Name>
1307803-46-8

>  <PubChem CID>
53394452

>  <Formula>
C23H21NO2

>  <Molecular Weight>
343.426000

>  <IUPAC Name>
(1-butyl-4-hydroxyindol-3-yl)-naphthalen-1-ylmethanone

>  <XlogP>
5.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCCCN1C=C(C2=C1C=CC=C2O)C(=O)C3=CC=CC4=CC=CC=C43

>  <Isomeric SMILES>
CCCCN1C=C(C2=C1C=CC=C2O)C(=O)C3=CC=CC4=CC=CC=C43

>  <InChI Std. ID>
InChI=1S/C23H21NO2/c1-2-3-14-24-15-19(22-20(24)12-7-13-21(22)25)23(26)18-11-6-9-16-8-4-5-10-17(16)18/h4-13,15,25H,2-3,14H2,1H3

>  <InChI Key>
DKIVMJXJKHHIRO-UHFFFAOYSA-N

