
 CHEMBL2380424

 53 56  0  0  0  0  0  0  0  0999 V2000
    2.5772   -0.6972    3.2245 C   0  0  0  0  0
    2.8437   -0.1849    1.8186 C   0  0  0  0  0
    3.5330    1.1789    1.8363 C   0  0  0  0  0
    3.8348    1.6532    0.4171 C   0  0  0  0  0
    4.5481    2.9214    0.3894 N   0  0  0  0  0
    5.9194    3.0012    0.3924 C   0  0  0  0  0
    6.2862    4.3197    0.2149 C   0  0  0  0  0
    5.0695    5.0763    0.1806 C   0  0  0  0  0
    3.9935    4.1832    0.2929 C   0  0  0  0  0
    2.6521    4.6245    0.2772 C   0  0  0  0  0
    2.4258    6.0039    0.1507 C   0  0  0  0  0
    3.4793    6.9044    0.0242 C   0  0  0  0  0
    4.7982    6.4534    0.0363 C   0  0  0  0  0
    1.6501    3.7023    0.4318 O   0  0  0  0  0
    0.4004    4.0425   -0.1587 C   0  0  0  0  0
    7.6509    4.8357    0.0933 C   0  0  0  0  0
    7.9306    5.9846    0.4447 O   0  0  0  0  0
    8.7188    3.9584   -0.5470 C   0  0  0  0  0
    8.8421    4.2228   -2.0368 C   0  0  0  0  0
    9.5649    5.3693   -2.4206 C   0  0  0  0  0
    9.6805    5.7292   -3.7573 C   0  0  0  0  0
    9.0662    4.9555   -4.7356 C   0  0  0  0  0
    8.3335    3.8104   -4.3939 C   0  0  0  0  0
    7.7129    3.0569   -5.4046 C   0  0  0  0  0
    6.9750    1.9155   -5.1010 C   0  0  0  0  0
    6.8567    1.5083   -3.7810 C   0  0  0  0  0
    7.4711    2.2468   -2.7658 C   0  0  0  0  0
    8.2151    3.4197   -3.0342 C   0  0  0  0  0
    2.0828   -1.6733    3.1844 H   0  0  0  0  0
    1.9289   -0.0097    3.7772 H   0  0  0  0  0
    3.5117   -0.8139    3.7832 H   0  0  0  0  0
    1.8951   -0.1147    1.2740 H   0  0  0  0  0
    3.4693   -0.9116    1.2873 H   0  0  0  0  0
    4.4659    1.1121    2.4102 H   0  0  0  0  0
    2.8995    1.9110    2.3515 H   0  0  0  0  0
    2.9276    1.7465   -0.1866 H   0  0  0  0  0
    4.4693    0.9210   -0.0989 H   0  0  0  0  0
    6.5141    2.1045    0.5047 H   0  0  0  0  0
    1.4187    6.4085    0.1628 H   0  0  0  0  0
    3.2776    7.9679   -0.0766 H   0  0  0  0  0
    5.6159    7.1641   -0.0589 H   0  0  0  0  0
   -0.2202    3.1410   -0.1665 H   0  0  0  0  0
    0.5213    4.3740   -1.1961 H   0  0  0  0  0
   -0.1215    4.7970    0.4386 H   0  0  0  0  0
    8.5629    2.9019   -0.3200 H   0  0  0  0  0
    9.6743    4.1954   -0.0591 H   0  0  0  0  0
   10.0287    6.0031   -1.6651 H   0  0  0  0  0
   10.2371    6.6201   -4.0355 H   0  0  0  0  0
    9.1595    5.2602   -5.7757 H   0  0  0  0  0
    7.7971    3.3604   -6.4459 H   0  0  0  0  0
    6.4977    1.3475   -5.8947 H   0  0  0  0  0
    6.2867    0.6167   -3.5347 H   0  0  0  0  0
    7.3569    1.8766   -1.7540 H   0  0  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2  3  1  0  0  0
  2 32  1  0  0  0
  2 33  1  0  0  0
  3  4  1  0  0  0
  3 34  1  0  0  0
  3 35  1  0  0  0
  4  5  1  0  0  0
  4 36  1  0  0  0
  4 37  1  0  0  0
  5  6  1  0  0  0
  5  9  1  0  0  0
  6  7  2  0  0  0
  6 38  1  0  0  0
  7  8  1  0  0  0
  7 16  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 14  1  0  0  0
 11 12  1  0  0  0
 11 39  1  0  0  0
 12 13  2  0  0  0
 12 40  1  0  0  0
 13 41  1  0  0  0
 14 15  1  0  0  0
 15 42  1  0  0  0
 15 43  1  0  0  0
 15 44  1  0  0  0
 16 18  1  0  0  0
 16 17  2  0  0  0
 18 19  1  0  0  0
 18 45  1  0  0  0
 18 46  1  0  0  0
 19 20  2  0  0  0
 19 28  1  0  0  0
 20 21  1  0  0  0
 20 47  1  0  0  0
 21 22  2  0  0  0
 21 48  1  0  0  0
 22 23  1  0  0  0
 22 49  1  0  0  0
 23 24  2  0  0  0
 23 28  1  0  0  0
 24 25  1  0  0  0
 24 50  1  0  0  0
 25 26  2  0  0  0
 25 51  1  0  0  0
 26 27  1  0  0  0
 26 52  1  0  0  0
 27 28  2  0  0  0
 27 53  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2380424

>  <PubChem CID>
71683089

>  <Formula>
C25H25NO2

>  <Molecular Weight>
371.480000

>  <IUPAC Name>
1-(1-butyl-7-methoxyindol-3-yl)-2-naphthalen-1-ylethanone

>  <XlogP>
5.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCCCN1C=C(C2=C1C(=CC=C2)OC)C(=O)CC3=CC=CC4=CC=CC=C43

>  <Isomeric SMILES>
CCCCN1C=C(C2=C1C(=CC=C2)OC)C(=O)CC3=CC=CC4=CC=CC=C43

>  <InChI Std. ID>
InChI=1S/C25H25NO2/c1-3-4-15-26-17-22(21-13-8-14-24(28-2)25(21)26)23(27)16-19-11-7-10-18-9-5-6-12-20(18)19/h5-14,17H,3-4,15-16H2,1-2H3

>  <InChI Key>
AEKYOIGTEGFYSI-UHFFFAOYSA-N

