
 CHEMBL2376482

 32 34  0  0  0  0  0  0  0  0999 V2000
    1.0331    0.1068    0.4990 C   0  0  0  0  0
    2.4956   -0.0297    0.2720 C   0  0  0  0  0
    3.2904   -1.1391    0.0465 C   0  0  0  0  0
    4.6375   -0.6932   -0.1164 C   0  0  0  0  0
    4.6261    0.6946    0.0284 C   0  0  0  0  0
    3.3215    1.0681    0.2582 N   0  0  0  0  0
    5.7830    1.4784   -0.0652 C   0  0  0  0  0
    6.9913    0.8226   -0.3192 C   0  0  0  0  0
    7.0286   -0.5603   -0.4763 C   0  0  0  0  0
    5.8670   -1.3326   -0.3819 C   0  0  0  0  0
    8.6819   -1.4140   -0.8249 Br  0  0  0  0  0
    2.8105   -2.4818   -0.0152 C   0  0  0  0  0
    2.0261   -2.9537   -1.0003 C   0  0  0  0  0
    1.5062   -4.3589   -1.0312 C   0  0  0  0  0
    1.6287   -5.0617    0.2493 N   0  0  0  0  0
    2.9662   -4.8559    0.8179 C   0  0  0  0  0
    3.2428   -3.3745    1.1223 C   0  0  0  0  0
    0.6451   -0.7372    1.0778 H   0  0  0  0  0
    0.5043    0.1415   -0.4586 H   0  0  0  0  0
    0.8009    1.0226    1.0522 H   0  0  0  0  0
    3.0198    2.0225    0.3955 H   0  0  0  0  0
    5.7500    2.5568    0.0521 H   0  0  0  0  0
    7.9040    1.4087   -0.3964 H   0  0  0  0  0
    5.9019   -2.4094   -0.5128 H   0  0  0  0  0
    1.7457   -2.3091   -1.8290 H   0  0  0  0  0
    0.4470   -4.3416   -1.3112 H   0  0  0  0  0
    2.0303   -4.9199   -1.8135 H   0  0  0  0  0
    0.9400   -4.6677    0.8900 H   0  0  0  0  0
    3.7249   -5.2522    0.1308 H   0  0  0  0  0
    3.0537   -5.4364    1.7431 H   0  0  0  0  0
    4.3117   -3.2633    1.3376 H   0  0  0  0  0
    2.6956   -3.0811    2.0277 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  2  0  0  0
  2  6  1  0  0  0
  3  4  1  0  0  0
  3 12  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 21  1  0  0  0
  7  8  2  0  0  0
  7 22  1  0  0  0
  8  9  1  0  0  0
  8 23  1  0  0  0
  9 10  2  0  0  0
  9 11  1  0  0  0
 10 24  1  0  0  0
 12 17  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 13 25  1  0  0  0
 14 15  1  0  0  0
 14 26  1  0  0  0
 14 27  1  0  0  0
 15 16  1  0  0  0
 15 28  1  0  0  0
 16 17  1  0  0  0
 16 29  1  0  0  0
 16 30  1  0  0  0
 17 31  1  0  0  0
 17 32  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2376482

>  <PubChem CID>
73354882

>  <Formula>
C14H15BrN2

>  <Molecular Weight>
291.192000

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

>  <XlogP>
2.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
CC1=C(C2=C(N1)C=CC(=C2)Br)C3=CCNCC3

>  <Isomeric SMILES>
CC1=C(C2=C(N1)C=CC(=C2)Br)C3=CCNCC3

>  <InChI Std. ID>
InChI=1S/C14H15BrN2/c1-9-14(10-4-6-16-7-5-10)12-8-11(15)2-3-13(12)17-9/h2-4,8,16-17H,5-7H2,1H3

>  <InChI Key>
CYOVOZKUTSWUJD-UHFFFAOYSA-N

