
 SCHEMBL14061586

 52 55  0  0  0  0  0  0  0  0999 V2000
    2.0542    0.8903   -4.7576 C   0  0  0  0  0
    2.4012    1.3712   -3.3821 C   0  0  0  0  0
    3.3932    2.3347   -3.1863 C   0  0  0  0  0
    3.6868    2.7336   -1.8908 C   0  0  0  0  0
    3.0806    2.2309   -0.7948 N   0  0  0  0  0
    2.1429    1.2842   -1.0054 C   0  0  0  0  0
    1.7747    0.8255   -2.2607 C   0  0  0  0  0
    4.6882    3.6738   -1.7510 O   0  0  0  0  0
    4.7425    4.2321   -0.4352 C   0  0  0  0  0
    5.9011    5.2378   -0.3469 C   0  0  0  0  0
    5.7690    6.4327   -1.3207 C   0  0  0  0  0
    4.7231    7.4102   -0.9186 N   0  0  0  0  0
    4.9843    7.8141    0.4816 C   0  0  0  0  0
    5.0828    6.6072    1.4242 C   0  0  0  0  0
    6.1055    5.6971    1.0055 O   0  0  0  0  0
    4.7793    8.6115   -1.7886 C   0  0  0  0  0
    4.4117    8.2927   -3.2475 C   0  0  0  0  0
    5.3193    8.0717   -4.0552 O   0  0  0  0  0
    3.0636    8.2945   -3.5669 N   0  0  0  0  0
    1.9496    8.4975   -2.6247 C   0  0  0  0  0
    0.6495    8.5208   -3.4397 C   0  0  0  0  0
    1.1291    8.1446   -4.8030 C   0  0  0  0  0
    0.3571    7.9512   -5.9396 C   0  0  0  0  0
    1.0038    7.6273   -7.1329 C   0  0  0  0  0
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    3.1680    7.7140   -6.0221 C   0  0  0  0  0
    2.5200    8.0341   -4.8402 C   0  0  0  0  0
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    0.9736    0.7382   -4.8503 H   0  0  0  0  0
    2.5665   -0.0541   -4.9655 H   0  0  0  0  0
    3.9271    2.7769   -4.0206 H   0  0  0  0  0
    1.6800    0.8851   -0.1075 H   0  0  0  0  0
    1.0145    0.0572   -2.3567 H   0  0  0  0  0
    4.9231    3.4473    0.3115 H   0  0  0  0  0
    3.7879    4.7183   -0.2017 H   0  0  0  0  0
    6.8182    4.7030   -0.6253 H   0  0  0  0  0
    5.5673    6.0515   -2.3272 H   0  0  0  0  0
    6.7416    6.9434   -1.3523 H   0  0  0  0  0
    5.9248    8.3782    0.5390 H   0  0  0  0  0
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    5.3468    6.9514    2.4295 H   0  0  0  0  0
    4.1248    6.0834    1.5083 H   0  0  0  0  0
    5.7829    9.0581   -1.7878 H   0  0  0  0  0
    4.1097    9.3904   -1.4107 H   0  0  0  0  0
    2.0807    9.4379   -2.0800 H   0  0  0  0  0
    1.9513    7.6749   -1.9007 H   0  0  0  0  0
    0.2137    9.5256   -3.4503 H   0  0  0  0  0
   -0.0808    7.8072   -3.0478 H   0  0  0  0  0
   -0.7233    8.0522   -5.9088 H   0  0  0  0  0
    0.4238    7.4697   -8.0390 H   0  0  0  0  0
    2.8938    7.2544   -8.1079 H   0  0  0  0  0
    4.2465    7.6175   -6.0770 H   0  0  0  0  0
  1  2  1  0  0  0
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  9 34  1  0  0  0
  9 35  1  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL14061586

>  <PubChem CID>
71062581

>  <Formula>
C21H25N3O3

>  <Molecular Weight>
367.449000

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

>  <XlogP>
2.4

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=CC(=NC=C1)OCC2CN(CCO2)CC(=O)N3CCC4=CC=CC=C43

>  <Isomeric SMILES>
CC1=CC(=NC=C1)OC[C@H]2CN(CCO2)CC(=O)N3CCC4=CC=CC=C43

>  <InChI Std. ID>
InChI=1S/C21H25N3O3/c1-16-6-8-22-20(12-16)27-15-18-13-23(10-11-26-18)14-21(25)24-9-7-17-4-2-3-5-19(17)24/h2-6,8,12,18H,7,9-11,13-15H2,1H3/t18-/m1/s1

>  <InChI Key>
QBMBRZQSSOYRMY-GOSISDBHSA-N

