
 SCHEMBL14061923

 50 53  0  0  0  0  0  0  0  0999 V2000
    0.0268    2.4357    2.4232 C   0  0  0  0  0
   -1.3394    3.1352    2.3311 C   0  0  0  0  0
   -2.2020    2.2976    1.4790 N   0  0  0  0  0
   -1.6705    1.0050    1.6226 C   0  0  0  0  0
   -2.2382   -0.2030    1.2568 C   0  0  0  0  0
   -1.5199   -1.3853    1.4732 C   0  0  0  0  0
   -0.2344   -1.3498    2.0341 C   0  0  0  0  0
    0.3503   -0.1334    2.3811 C   0  0  0  0  0
   -0.3825    1.0243    2.1728 C   0  0  0  0  0
   -3.6513    2.4985    1.5313 C   0  0  0  0  0
   -4.1704    2.9302    0.1408 C   0  0  0  0  0
   -5.6349    3.1164    0.0604 N   0  0  0  0  0
   -6.1506    4.1993    0.9225 C   0  0  0  0  0
   -5.7864    5.6075    0.4316 C   0  0  0  0  0
   -6.2736    5.8307   -0.8948 O   0  0  0  0  0
   -5.7554    4.8518   -1.8155 C   0  0  0  0  0
   -6.0581    3.4069   -1.3327 C   0  0  0  0  0
   -6.4077    5.1009   -3.1823 C   0  0  0  0  0
   -5.8370    4.2162   -4.1479 O   0  0  0  0  0
   -6.6185    4.0329   -5.2704 C   0  0  0  0  0
   -6.1127    3.1725   -6.2322 C   0  0  0  0  0
   -6.8867    2.9140   -7.3601 C   0  0  0  0  0
   -8.1313    3.5204   -7.4827 C   0  0  0  0  0
   -8.5474    4.3723   -6.4726 C   0  0  0  0  0
   -7.8155    4.6455   -5.3699 N   0  0  0  0  0
    0.7007    2.7791    1.6311 H   0  0  0  0  0
    0.4891    2.5830    3.4029 H   0  0  0  0  0
   -1.2440    4.1463    1.9214 H   0  0  0  0  0
   -1.7756    3.2195    3.3361 H   0  0  0  0  0
   -3.2210   -0.2475    0.8003 H   0  0  0  0  0
   -1.9593   -2.3395    1.1960 H   0  0  0  0  0
    0.3121   -2.2774    2.1885 H   0  0  0  0  0
    1.3503   -0.0970    2.7994 H   0  0  0  0  0
   -3.8698    3.2839    2.2626 H   0  0  0  0  0
   -4.1841    1.6045    1.8756 H   0  0  0  0  0
   -3.8857    2.1429   -0.5706 H   0  0  0  0  0
   -3.6326    3.8326   -0.1750 H   0  0  0  0  0
   -5.8412    4.0663    1.9631 H   0  0  0  0  0
   -7.2450    4.1117    0.9308 H   0  0  0  0  0
   -6.2563    6.3532    1.0812 H   0  0  0  0  0
   -4.7054    5.7859    0.4586 H   0  0  0  0  0
   -4.6715    4.9933   -1.9071 H   0  0  0  0  0
   -7.1440    3.2447   -1.3719 H   0  0  0  0  0
   -5.6225    2.6705   -2.0190 H   0  0  0  0  0
   -6.2323    6.1386   -3.4946 H   0  0  0  0  0
   -7.4914    4.9647   -3.0672 H   0  0  0  0  0
   -5.1428    2.7082   -6.1008 H   0  0  0  0  0
   -6.5237    2.2403   -8.1304 H   0  0  0  0  0
   -8.7639    3.3332   -8.3433 H   0  0  0  0  0
   -9.5121    4.8691   -6.5210 H   0  0  0  0  0
  1  9  1  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  3  1  0  0  0
  2 28  1  0  0  0
  2 29  1  0  0  0
  3  4  1  0  0  0
  3 10  1  0  0  0
  4  9  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5 30  1  0  0  0
  6  7  2  0  0  0
  6 31  1  0  0  0
  7  8  1  0  0  0
  7 32  1  0  0  0
  8  9  2  0  0  0
  8 33  1  0  0  0
 10 11  1  0  0  0
 10 34  1  0  0  0
 10 35  1  0  0  0
 11 12  1  0  0  0
 11 36  1  0  0  0
 11 37  1  0  0  0
 12 17  1  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 13 38  1  0  0  0
 13 39  1  0  0  0
 14 15  1  0  0  0
 14 40  1  0  0  0
 14 41  1  0  0  0
 15 16  1  0  0  0
 16 17  1  0  0  0
 16 18  1  0  0  0
 16 42  1  0  0  0
 17 43  1  0  0  0
 17 44  1  0  0  0
 18 19  1  0  0  0
 18 45  1  0  0  0
 18 46  1  0  0  0
 19 20  1  0  0  0
 20 21  2  0  0  0
 20 25  1  0  0  0
 21 22  1  0  0  0
 21 47  1  0  0  0
 22 23  2  0  0  0
 22 48  1  0  0  0
 23 24  1  0  0  0
 23 49  1  0  0  0
 24 25  2  0  0  0
 24 50  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL14061923

>  <PubChem CID>
71062829

>  <Formula>
C20H25N3O2

>  <Molecular Weight>
339.439000

>  <IUPAC Name>
(2R)-4-[2-(2,3-dihydroindol-1-yl)ethyl]-2-(pyridin-2-yloxymethyl)morpholine

>  <XlogP>
2.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CN(C2=CC=CC=C21)CCN3CCOC(C3)COC4=CC=CC=N4

>  <Isomeric SMILES>
C1CN(C2=CC=CC=C21)CCN3CCO[C@H](C3)COC4=CC=CC=N4

>  <InChI Std. ID>
InChI=1S/C20H25N3O2/c1-2-6-19-17(5-1)8-10-23(19)12-11-22-13-14-24-18(15-22)16-25-20-7-3-4-9-21-20/h1-7,9,18H,8,10-16H2/t18-/m1/s1

>  <InChI Key>
DSTWBFPFQZUGGQ-GOSISDBHSA-N

