
 SCHEMBL14061520

 49 52  0  0  0  0  0  0  0  0999 V2000
    0.6306    1.5092   -0.6446 C   0  0  0  0  0
   -0.6467    2.2544   -0.2365 C   0  0  0  0  0
   -0.6345    2.3933    1.2311 N   0  0  0  0  0
    0.6142    1.9417    1.7036 C   0  0  0  0  0
    1.1155    1.9384    2.9942 C   0  0  0  0  0
    2.3994    1.4275    3.2143 C   0  0  0  0  0
    3.1625    0.9264    2.1498 C   0  0  0  0  0
    2.6511    0.9293    0.8522 C   0  0  0  0  0
    1.3779    1.4417    0.6465 C   0  0  0  0  0
   -1.6411    2.9482    2.0061 C   0  0  0  0  0
   -1.5705    3.1071    3.2292 O   0  0  0  0  0
   -2.9358    3.3673    1.2825 C   0  0  0  0  0
   -2.7236    4.4538    0.3006 N   0  0  0  0  0
   -2.1326    5.6545    0.9315 C   0  0  0  0  0
   -1.9338    6.7613   -0.1124 C   0  0  0  0  0
   -3.1755    7.1254   -0.7230 O   0  0  0  0  0
   -3.7915    5.9842   -1.3551 C   0  0  0  0  0
   -4.0080    4.8399   -0.3378 C   0  0  0  0  0
   -5.0983    6.4840   -1.9842 C   0  0  0  0  0
   -5.8050    5.4260   -2.6320 O   0  0  0  0  0
   -6.9511    5.7928   -3.2836 C   0  0  0  0  0
   -7.8880    4.7908   -3.5144 C   0  0  0  0  0
   -9.0682    4.9728   -4.1584 N   0  0  0  0  0
   -9.3220    6.2191   -4.6075 C   0  0  0  0  0
   -8.4519    7.2834   -4.4434 C   0  0  0  0  0
   -7.2493    7.0637   -3.7706 C   0  0  0  0  0
    0.3988    0.5039   -1.0102 H   0  0  0  0  0
    1.1854    2.0608   -1.4100 H   0  0  0  0  0
   -1.5475    1.7223   -0.5583 H   0  0  0  0  0
   -0.6525    3.2540   -0.6838 H   0  0  0  0  0
    0.5439    2.3193    3.8337 H   0  0  0  0  0
    2.8071    1.4177    4.2224 H   0  0  0  0  0
    4.1568    0.5296    2.3407 H   0  0  0  0  0
    3.2371    0.5345    0.0280 H   0  0  0  0  0
   -3.6634    3.6715    2.0463 H   0  0  0  0  0
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   -1.1539    5.4251    1.3659 H   0  0  0  0  0
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   -1.2254    6.4524   -0.8907 H   0  0  0  0  0
   -3.1333    5.6260   -2.1587 H   0  0  0  0  0
   -4.7225    5.1634    0.4308 H   0  0  0  0  0
   -4.4339    3.9704   -0.8518 H   0  0  0  0  0
   -4.8209    7.2653   -2.7016 H   0  0  0  0  0
   -5.7334    6.9396   -1.2131 H   0  0  0  0  0
   -7.7106    3.7765   -3.1685 H   0  0  0  0  0
  -10.2696    6.3444   -5.1236 H   0  0  0  0  0
   -8.6989    8.2638   -4.8362 H   0  0  0  0  0
   -6.5683    7.9003   -3.6644 H   0  0  0  0  0
  1  9  1  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
  2 30  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
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  6  7  2  0  0  0
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  7  8  1  0  0  0
  7 33  1  0  0  0
  8  9  2  0  0  0
  8 34  1  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL14061520

>  <PubChem CID>
71062530

>  <Formula>
C20H23N3O3

>  <Molecular Weight>
353.422000

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

>  <XlogP>
1.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CN(C2=CC=CC=C21)C(=O)CN3CCOC(C3)COC4=CN=CC=C4

>  <Isomeric SMILES>
C1CN(C2=CC=CC=C21)C(=O)CN3CCO[C@H](C3)COC4=CN=CC=C4

>  <InChI Std. ID>
InChI=1S/C20H23N3O3/c24-20(23-9-7-16-4-1-2-6-19(16)23)14-22-10-11-25-18(13-22)15-26-17-5-3-8-21-12-17/h1-6,8,12,18H,7,9-11,13-15H2/t18-/m1/s1

>  <InChI Key>
XYHRHHHLNLGIRG-GOSISDBHSA-N

