
 CHEMBL2376491

 42 45  0  0  0  0  0  0  0  0999 V2000
    0.9328    0.1729    0.0727 C   0  0  0  0  0
    2.4078    0.0047    0.0470 C   0  0  0  0  0
    3.2124   -1.1158   -0.0389 C   0  0  0  0  0
    4.5744   -0.6910   -0.0238 C   0  0  0  0  0
    4.5631    0.6989    0.0600 C   0  0  0  0  0
    3.2456    1.0933    0.1117 N   0  0  0  0  0
    5.7324    1.4613    0.0764 C   0  0  0  0  0
    6.9535    0.7762    0.0014 C   0  0  0  0  0
    7.0302   -0.6255   -0.0715 C   0  0  0  0  0
    5.8219   -1.3521   -0.0802 C   0  0  0  0  0
    8.3386   -1.3171   -0.1447 C   0  0  0  0  0
    8.5328   -2.4290   -0.9841 C   0  0  0  0  0
    9.7671   -3.0825   -1.0554 C   0  0  0  0  0
   10.8399   -2.6322   -0.2928 C   0  0  0  0  0
   10.6775   -1.5328    0.5441 C   0  0  0  0  0
    9.4391   -0.8868    0.6198 C   0  0  0  0  0
    2.7352   -2.4542   -0.1447 C   0  0  0  0  0
    2.4569   -3.0575   -1.3135 C   0  0  0  0  0
    1.9383   -4.4601   -1.4028 C   0  0  0  0  0
    1.4384   -4.9855   -0.1282 N   0  0  0  0  0
    2.3899   -4.6941    0.9519 C   0  0  0  0  0
    2.5809   -3.1834    1.1651 C   0  0  0  0  0
    0.4129   -0.7815   -0.0543 H   0  0  0  0  0
    0.6089    0.8407   -0.7322 H   0  0  0  0  0
    0.6156    0.6041    1.0279 H   0  0  0  0  0
    2.9428    2.0546    0.1778 H   0  0  0  0  0
    5.7073    2.5441    0.1332 H   0  0  0  0  0
    7.8660    1.3706   -0.0129 H   0  0  0  0  0
    5.8308   -2.4377   -0.1246 H   0  0  0  0  0
    7.7193   -2.7939   -1.6073 H   0  0  0  0  0
    9.8882   -3.9404   -1.7112 H   0  0  0  0  0
   11.8007   -3.1363   -0.3502 H   0  0  0  0  0
   11.5109   -1.1764    1.1437 H   0  0  0  0  0
    9.3388   -0.0412    1.2983 H   0  0  0  0  0
    2.6088   -2.5270   -2.2490 H   0  0  0  0  0
    1.1196   -4.4926   -2.1304 H   0  0  0  0  0
    2.7293   -5.1135   -1.7884 H   0  0  0  0  0
    0.5585   -4.5139    0.0796 H   0  0  0  0  0
    3.3531   -5.1728    0.7336 H   0  0  0  0  0
    2.0237   -5.1455    1.8806 H   0  0  0  0  0
    3.4584   -3.0312    1.8056 H   0  0  0  0  0
    1.7100   -2.7786    1.6973 H   0  0  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  3  2  0  0  0
  2  6  1  0  0  0
  3  4  1  0  0  0
  3 17  1  0  0  0
  4 10  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5  7  1  0  0  0
  6 26  1  0  0  0
  7  8  2  0  0  0
  7 27  1  0  0  0
  8  9  1  0  0  0
  8 28  1  0  0  0
  9 10  2  0  0  0
  9 11  1  0  0  0
 10 29  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12 30  1  0  0  0
 13 14  2  0  0  0
 13 31  1  0  0  0
 14 15  1  0  0  0
 14 32  1  0  0  0
 15 16  2  0  0  0
 15 33  1  0  0  0
 16 34  1  0  0  0
 17 22  1  0  0  0
 17 18  2  0  0  0
 18 19  1  0  0  0
 18 35  1  0  0  0
 19 20  1  0  0  0
 19 36  1  0  0  0
 19 37  1  0  0  0
 20 21  1  0  0  0
 20 38  1  0  0  0
 21 22  1  0  0  0
 21 39  1  0  0  0
 21 40  1  0  0  0
 22 41  1  0  0  0
 22 42  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2376491

>  <PubChem CID>
73351905

>  <Formula>
C20H20N2

>  <Molecular Weight>
288.394000

>  <IUPAC Name>
2-methyl-5-phenyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
CC1=C(C2=C(N1)C=CC(=C2)C3=CC=CC=C3)C4=CCNCC4

>  <Isomeric SMILES>
CC1=C(C2=C(N1)C=CC(=C2)C3=CC=CC=C3)C4=CCNCC4

>  <InChI Std. ID>
InChI=1S/C20H20N2/c1-14-20(16-9-11-21-12-10-16)18-13-17(7-8-19(18)22-14)15-5-3-2-4-6-15/h2-9,13,21-22H,10-12H2,1H3

>  <InChI Key>
CWYJMCYDDSRPBB-UHFFFAOYSA-N

