
 1-(1-Pentyl-1H-indol-3-yl)-2-phenylethanone

 46 48  0  0  0  0  0  0  0  0999 V2000
    0.6903    3.2022    2.4485 C   0  0  0  0  0
    2.1989    3.0496    2.5533 C   0  0  0  0  0
    2.8509    2.9458    1.1743 C   0  0  0  0  0
    4.3661    2.7873    1.2928 C   0  0  0  0  0
    5.0286    2.6902   -0.0801 C   0  0  0  0  0
    6.4745    2.5645    0.0329 N   0  0  0  0  0
    7.3344    3.6320    0.0448 C   0  0  0  0  0
    8.6203    3.1654    0.2487 C   0  0  0  0  0
    8.5208    1.7353    0.3355 C   0  0  0  0  0
    9.4624    0.6993    0.5219 C   0  0  0  0  0
    9.0423   -0.6349    0.5255 C   0  0  0  0  0
    7.7000   -0.9525    0.3508 C   0  0  0  0  0
    6.7429    0.0502    0.1759 C   0  0  0  0  0
    7.1748    1.3870    0.1695 C   0  0  0  0  0
    9.8363    3.9806    0.3463 C   0  0  0  0  0
   10.8636    3.5360    0.8647 O   0  0  0  0  0
    9.8373    5.3807   -0.2474 C   0  0  0  0  0
    9.2696    6.4478    0.6558 C   0  0  0  0  0
    9.8543    6.7170    1.9008 C   0  0  0  0  0
    9.3376    7.7208    2.7228 C   0  0  0  0  0
    8.2337    8.4646    2.3098 C   0  0  0  0  0
    7.6495    8.2122    1.0711 C   0  0  0  0  0
    8.1700    7.2157    0.2442 C   0  0  0  0  0
    0.2472    3.2747    3.4467 H   0  0  0  0  0
    0.2436    2.3419    1.9402 H   0  0  0  0  0
    0.4251    4.1068    1.8924 H   0  0  0  0  0
    2.4298    2.1544    3.1425 H   0  0  0  0  0
    2.6103    3.9092    3.0954 H   0  0  0  0  0
    2.6192    3.8442    0.5893 H   0  0  0  0  0
    2.4327    2.0891    0.6321 H   0  0  0  0  0
    4.5979    1.8910    1.8816 H   0  0  0  0  0
    4.7825    3.6398    1.8446 H   0  0  0  0  0
    4.8233    3.5873   -0.6763 H   0  0  0  0  0
    4.6552    1.8307   -0.6467 H   0  0  0  0  0
    6.9491    4.6369   -0.0557 H   0  0  0  0  0
   10.5148    0.9356    0.6602 H   0  0  0  0  0
    9.7741   -1.4263    0.6660 H   0  0  0  0  0
    7.3898   -1.9947    0.3535 H   0  0  0  0  0
    5.6974   -0.2106    0.0476 H   0  0  0  0  0
    9.3118    5.3535   -1.2097 H   0  0  0  0  0
   10.8744    5.6460   -0.4906 H   0  0  0  0  0
   10.7209    6.1494    2.2378 H   0  0  0  0  0
    9.8001    7.9231    3.6856 H   0  0  0  0  0
    7.8332    9.2443    2.9520 H   0  0  0  0  0
    6.7925    8.7958    0.7459 H   0  0  0  0  0
    7.7075    7.0428   -0.7253 H   0  0  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2  3  1  0  0  0
  2 27  1  0  0  0
  2 28  1  0  0  0
  3  4  1  0  0  0
  3 29  1  0  0  0
  3 30  1  0  0  0
  4  5  1  0  0  0
  4 31  1  0  0  0
  4 32  1  0  0  0
  5  6  1  0  0  0
  5 33  1  0  0  0
  5 34  1  0  0  0
  6 14  1  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7 35  1  0  0  0
  8  9  1  0  0  0
  8 15  1  0  0  0
  9 14  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 10 36  1  0  0  0
 11 12  2  0  0  0
 11 37  1  0  0  0
 12 13  1  0  0  0
 12 38  1  0  0  0
 13 14  2  0  0  0
 13 39  1  0  0  0
 15 17  1  0  0  0
 15 16  2  0  0  0
 17 18  1  0  0  0
 17 40  1  0  0  0
 17 41  1  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 19 42  1  0  0  0
 20 21  2  0  0  0
 20 43  1  0  0  0
 21 22  1  0  0  0
 21 44  1  0  0  0
 22 23  2  0  0  0
 22 45  1  0  0  0
 23 46  1  0  0  0
M  END

>  <Chemical Name>
1-(1-Pentyl-1H-indol-3-yl)-2-phenylethanone

>  <PubChem CID>
44397502

>  <Formula>
C21H23NO

>  <Molecular Weight>
305.421000

>  <IUPAC Name>
1-(1-pentylindol-3-yl)-2-phenylethanone

>  <XlogP>
5.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
CCCCCN1C=C(C2=CC=CC=C21)C(=O)CC3=CC=CC=C3

>  <Isomeric SMILES>
CCCCCN1C=C(C2=CC=CC=C21)C(=O)CC3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C21H23NO/c1-2-3-9-14-22-16-19(18-12-7-8-13-20(18)22)21(23)15-17-10-5-4-6-11-17/h4-8,10-13,16H,2-3,9,14-15H2,1H3

>  <InChI Key>
AMCPOEOUXQWESI-UHFFFAOYSA-N

