
 CHEMBL3979116

 50 53  0  0  0  0  0  0  0  0999 V2000
   -1.2592    0.8140    3.0266 C   0  0  0  0  0
   -2.0657    1.9197    2.3340 C   0  0  0  0  0
   -1.7576    3.1921    3.0130 N   0  0  0  0  0
   -0.7229    2.9541    3.9394 C   0  0  0  0  0
   -0.0514    3.8505    4.7536 C   0  0  0  0  0
    0.9766    3.3719    5.5730 C   0  0  0  0  0
    1.3198    2.0125    5.5705 C   0  0  0  0  0
    0.6332    1.1125    4.7552 C   0  0  0  0  0
   -0.3846    1.5993    3.9476 C   0  0  0  0  0
   -2.3075    4.4313    2.7165 C   0  0  0  0  0
   -2.0273    5.4765    3.3084 O   0  0  0  0  0
   -3.3353    4.4855    1.5677 C   0  0  0  0  0
   -2.7616    4.0795    0.2646 N   0  0  0  0  0
   -1.5714    4.8835   -0.0896 C   0  0  0  0  0
   -1.0068    4.4283   -1.4409 C   0  0  0  0  0
   -1.9780    4.5785   -2.4792 O   0  0  0  0  0
   -3.1663    3.8135   -2.1878 C   0  0  0  0  0
   -3.7666    4.2174   -0.8198 C   0  0  0  0  0
   -4.1331    4.0547   -3.3528 C   0  0  0  0  0
   -5.3541    3.3363   -3.1798 O   0  0  0  0  0
   -6.2884    3.5249   -4.1671 C   0  0  0  0  0
   -7.6033    3.2134   -3.8137 C   0  0  0  0  0
   -8.6421    3.3695   -4.7352 C   0  0  0  0  0
   -8.3689    3.8239   -6.0236 C   0  0  0  0  0
   -7.0579    4.1176   -6.3899 C   0  0  0  0  0
   -6.0199    3.9680   -5.4654 C   0  0  0  0  0
   -1.9142    0.1448    3.5930 H   0  0  0  0  0
   -0.6772    0.2349    2.3031 H   0  0  0  0  0
   -3.1426    1.7259    2.3748 H   0  0  0  0  0
   -1.7638    1.9908    1.2847 H   0  0  0  0  0
   -0.2965    4.9066    4.7697 H   0  0  0  0  0
    1.5155    4.0637    6.2161 H   0  0  0  0  0
    2.1246    1.6595    6.2108 H   0  0  0  0  0
    0.8942    0.0590    4.7558 H   0  0  0  0  0
   -3.7239    5.5108    1.5163 H   0  0  0  0  0
   -4.1738    3.8329    1.8371 H   0  0  0  0  0
   -0.7805    4.7619    0.6577 H   0  0  0  0  0
   -1.8362    5.9473   -0.1408 H   0  0  0  0  0
   -0.1414    5.0431   -1.7071 H   0  0  0  0  0
   -0.6737    3.3839   -1.4040 H   0  0  0  0  0
   -2.9040    2.7470   -2.1624 H   0  0  0  0  0
   -4.1177    5.2567   -0.8677 H   0  0  0  0  0
   -4.6299    3.5789   -0.5985 H   0  0  0  0  0
   -3.6213    3.7262   -4.2658 H   0  0  0  0  0
   -4.3374    5.1302   -3.4424 H   0  0  0  0  0
   -7.8238    2.8566   -2.8113 H   0  0  0  0  0
   -9.6638    3.1364   -4.4472 H   0  0  0  0  0
   -9.1747    3.9451   -6.7429 H   0  0  0  0  0
   -6.8389    4.4614   -7.3979 H   0  0  0  0  0
   -5.0133    4.1949   -5.7995 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
  5 31  1  0  0  0
  6  7  2  0  0  0
  6 32  1  0  0  0
  7  8  1  0  0  0
  7 33  1  0  0  0
  8  9  2  0  0  0
  8 34  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 13  1  0  0  0
 12 35  1  0  0  0
 12 36  1  0  0  0
 13 18  1  0  0  0
 13 14  1  0  0  0
 14 15  1  0  0  0
 14 37  1  0  0  0
 14 38  1  0  0  0
 15 16  1  0  0  0
 15 39  1  0  0  0
 15 40  1  0  0  0
 16 17  1  0  0  0
 17 18  1  0  0  0
 17 19  1  0  0  0
 17 41  1  0  0  0
 18 42  1  0  0  0
 18 43  1  0  0  0
 19 20  1  0  0  0
 19 44  1  0  0  0
 19 45  1  0  0  0
 20 21  1  0  0  0
 21 22  2  0  0  0
 21 26  1  0  0  0
 22 23  1  0  0  0
 22 46  1  0  0  0
 23 24  2  0  0  0
 23 47  1  0  0  0
 24 25  1  0  0  0
 24 48  1  0  0  0
 25 26  2  0  0  0
 25 49  1  0  0  0
 26 50  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3979116

>  <PubChem CID>
71062560

>  <Formula>
C21H24N2O3

>  <Molecular Weight>
352.434000

>  <IUPAC Name>
1-(2,3-dihydroindol-1-yl)-2-[(2S)-2-(phenoxymethyl)morpholin-4-yl]ethanone

>  <XlogP>
2.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

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

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

>  <InChI Std. ID>
InChI=1S/C21H24N2O3/c24-21(23-11-10-17-6-4-5-9-20(17)23)15-22-12-13-25-19(14-22)16-26-18-7-2-1-3-8-18/h1-9,19H,10-16H2/t19-/m0/s1

>  <InChI Key>
QTIAESZAMKLZSK-IBGZPJMESA-N

