
 TCMDC-124447

 35 37  0  0  0  0  0  0  0  0999 V2000
    3.1397   -1.2274   -0.3914 C   0  0  0  0  0
    2.3816   -0.0573    0.2267 C   0  0  0  0  0
    2.9803    1.2517   -0.0746 N   0  0  0  0  0
    2.2758    2.3174    0.6578 C   0  0  0  0  0
    2.9818    3.6726    0.4804 C   0  0  0  0  0
    3.2741    3.9816   -0.9671 C   0  0  0  0  0
    3.2587    2.9762   -1.8629 C   0  0  0  0  0
    2.9834    1.5409   -1.5164 C   0  0  0  0  0
    3.4739    5.3644   -1.3074 C   0  0  0  0  0
    3.0913    5.9059   -2.5200 C   0  0  0  0  0
    3.4134    7.2351   -2.5224 N   0  0  0  0  0
    3.9975    7.5855   -1.3291 C   0  0  0  0  0
    4.4754    8.8319   -0.9040 C   0  0  0  0  0
    5.0351    8.9142    0.3723 C   0  0  0  0  0
    5.1186    7.7900    1.1852 C   0  0  0  0  0
    4.6406    6.5500    0.7420 C   0  0  0  0  0
    4.0559    6.4318   -0.5397 C   0  0  0  0  0
    2.7216   -2.1739   -0.0319 H   0  0  0  0  0
    4.1999   -1.2030   -0.1158 H   0  0  0  0  0
    3.0639   -1.2307   -1.4833 H   0  0  0  0  0
    2.3876   -0.2084    1.3133 H   0  0  0  0  0
    1.3334   -0.0938   -0.0951 H   0  0  0  0  0
    2.2585    2.0883    1.7311 H   0  0  0  0  0
    1.2303    2.3922    0.3269 H   0  0  0  0  0
    3.9256    3.6458    1.0376 H   0  0  0  0  0
    2.3454    4.4454    0.9275 H   0  0  0  0  0
    3.4431    3.1748   -2.9152 H   0  0  0  0  0
    2.0210    1.2721   -1.9711 H   0  0  0  0  0
    3.7587    0.9347   -1.9984 H   0  0  0  0  0
    2.6103    5.4640   -3.3813 H   0  0  0  0  0
    3.2469    7.8734   -3.2871 H   0  0  0  0  0
    4.4169    9.7086   -1.5410 H   0  0  0  0  0
    5.4144    9.8679    0.7314 H   0  0  0  0  0
    5.5624    7.8696    2.1746 H   0  0  0  0  0
    4.7322    5.6882    1.3937 H   0  0  0  0  0
  1  2  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  2  3  1  0  0  0
  2 21  1  0  0  0
  2 22  1  0  0  0
  3  4  1  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 23  1  0  0  0
  4 24  1  0  0  0
  5  6  1  0  0  0
  5 25  1  0  0  0
  5 26  1  0  0  0
  6  7  2  0  0  0
  6  9  1  0  0  0
  7  8  1  0  0  0
  7 27  1  0  0  0
  8 28  1  0  0  0
  8 29  1  0  0  0
  9 17  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 10 30  1  0  0  0
 11 12  1  0  0  0
 11 31  1  0  0  0
 12 17  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 13 32  1  0  0  0
 14 15  2  0  0  0
 14 33  1  0  0  0
 15 16  1  0  0  0
 15 34  1  0  0  0
 16 17  2  0  0  0
 16 35  1  0  0  0
M  END

>  <Chemical Name>
TCMDC-124447

>  <PubChem CID>
51703

>  <Formula>
C15H18N2

>  <Molecular Weight>
226.323000

>  <IUPAC Name>
3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole

>  <XlogP>
2.600

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
CCN1CCC(=CC1)C2=CNC3=CC=CC=C32

>  <Isomeric SMILES>
CCN1CCC(=CC1)C2=CNC3=CC=CC=C32

>  <InChI Std. ID>
InChI=1S/C15H18N2/c1-2-17-9-7-12(8-10-17)14-11-16-15-6-4-3-5-13(14)15/h3-7,11,16H,2,8-10H2,1H3

>  <InChI Key>
AUPFODUFUNPAOB-UHFFFAOYSA-N

