
 CHEMBL233517

 46 48  0  0  0  0  0  0  0  0999 V2000
    3.3021    1.5969    4.4363 C   0  0  0  0  0
    4.1409    2.7728    3.9618 C   0  0  0  0  0
    5.3711    2.3322    3.1951 C   0  0  0  0  0
    5.8128    1.1881    3.2205 O   0  0  0  0  0
    5.9523    3.3623    2.4869 N   0  0  0  0  0
    7.2030    3.2032    1.7619 C   0  0  0  0  0
    7.1751    3.8811    0.3895 C   0  0  0  0  0
    7.0591    5.3771    0.4507 C   0  0  0  0  0
    5.9061    6.1167    0.2847 C   0  0  0  0  0
    6.2333    7.4425    0.3486 N   0  0  0  0  0
    7.5794    7.6033    0.6055 C   0  0  0  0  0
    8.3518    8.7751    0.7697 C   0  0  0  0  0
    9.7381    8.5783    0.9678 C   0  0  0  0  0
   10.3178    7.3113    0.9911 C   0  0  0  0  0
    9.5126    6.1788    0.8438 C   0  0  0  0  0
    8.1245    6.3166    0.6480 C   0  0  0  0  0
   11.6507    7.0433    1.1555 O   0  0  0  0  0
   12.5360    8.1565    1.1524 C   0  0  0  0  0
    7.7681   10.1293    0.7220 C   0  0  0  0  0
    6.6086   10.4645    1.4414 C   0  0  0  0  0
    6.0728   11.7566    1.3955 C   0  0  0  0  0
    6.7020   12.7475    0.6463 C   0  0  0  0  0
    7.8599   12.4459   -0.0619 C   0  0  0  0  0
    8.3818   11.1496   -0.0291 C   0  0  0  0  0
    2.4188    1.9515    4.9762 H   0  0  0  0  0
    3.8734    0.9458    5.1068 H   0  0  0  0  0
    2.9649    0.9913    3.5887 H   0  0  0  0  0
    4.4701    3.3600    4.8259 H   0  0  0  0  0
    3.5277    3.4165    3.3215 H   0  0  0  0  0
    5.6235    4.3065    2.6361 H   0  0  0  0  0
    7.4158    2.1367    1.6304 H   0  0  0  0  0
    7.9919    3.6240    2.3940 H   0  0  0  0  0
    6.3424    3.4780   -0.2015 H   0  0  0  0  0
    8.0932    3.6212   -0.1512 H   0  0  0  0  0
    4.8853    5.8099    0.0941 H   0  0  0  0  0
    5.5872    8.2089    0.2132 H   0  0  0  0  0
   10.3546    9.4610    1.1138 H   0  0  0  0  0
    9.9675    5.1927    0.8668 H   0  0  0  0  0
   13.5586    7.7715    1.2117 H   0  0  0  0  0
   12.3687    8.7928    2.0278 H   0  0  0  0  0
   12.4509    8.7308    0.2235 H   0  0  0  0  0
    6.1192    9.7242    2.0707 H   0  0  0  0  0
    5.1727   11.9919    1.9569 H   0  0  0  0  0
    6.2942   13.7550    0.6210 H   0  0  0  0  0
    8.3620   13.2180   -0.6402 H   0  0  0  0  0
    9.2827   10.9402   -0.6028 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  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  5  1  0  0  0
  3  4  2  0  0  0
  5  6  1  0  0  0
  5 30  1  0  0  0
  6  7  1  0  0  0
  6 31  1  0  0  0
  6 32  1  0  0  0
  7  8  1  0  0  0
  7 33  1  0  0  0
  7 34  1  0  0  0
  8 16  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
  9 35  1  0  0  0
 10 11  1  0  0  0
 10 36  1  0  0  0
 11 16  1  0  0  0
 11 12  2  0  0  0
 12 13  1  0  0  0
 12 19  1  0  0  0
 13 14  2  0  0  0
 13 37  1  0  0  0
 14 15  1  0  0  0
 14 17  1  0  0  0
 15 16  2  0  0  0
 15 38  1  0  0  0
 17 18  1  0  0  0
 18 39  1  0  0  0
 18 40  1  0  0  0
 18 41  1  0  0  0
 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
 20 42  1  0  0  0
 21 22  2  0  0  0
 21 43  1  0  0  0
 22 23  1  0  0  0
 22 44  1  0  0  0
 23 24  2  0  0  0
 23 45  1  0  0  0
 24 46  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL233517

>  <PubChem CID>
44429453

>  <Formula>
C20H22N2O2

>  <Molecular Weight>
322.408000

>  <IUPAC Name>
N-[2-(5-methoxy-7-phenyl-1H-indol-3-yl)ethyl]propanamide

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCC(=O)NCCC1=CNC2=C(C=C(C=C12)OC)C3=CC=CC=C3

>  <Isomeric SMILES>
CCC(=O)NCCC1=CNC2=C(C=C(C=C12)OC)C3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C20H22N2O2/c1-3-19(23)21-10-9-15-13-22-20-17(14-7-5-4-6-8-14)11-16(24-2)12-18(15)20/h4-8,11-13,22H,3,9-10H2,1-2H3,(H,21,23)

>  <InChI Key>
CVTMNWQZILUNLF-UHFFFAOYSA-N

