
 CHEMBL269175

 43 46  0  0  0  0  0  0  0  0999 V2000
    3.6945    6.2060    4.3335 C   0  0  0  0  0
    5.1411    6.6644    4.2816 C   0  0  0  0  0
    5.9495    5.9238    3.2338 C   0  0  0  0  0
    5.4757    5.0982    2.4618 O   0  0  0  0  0
    7.2796    6.2832    3.2422 N   0  0  0  0  0
    8.2219    5.7590    2.2682 C   0  0  0  0  0
    8.1836    6.4992    0.9289 C   0  0  0  0  0
    8.5907    7.9369    1.0373 C   0  0  0  0  0
    9.8631    8.4568    1.0487 C   0  0  0  0  0
   11.2557    8.1043    1.0030 C   0  0  0  0  0
   11.8823    6.8773    0.9631 C   0  0  0  0  0
   13.2807    6.8640    0.9432 C   0  0  0  0  0
   14.0188    8.0632    0.9594 C   0  0  0  0  0
   13.3753    9.3032    1.0002 C   0  0  0  0  0
   11.9918    9.3114    1.0263 C   0  0  0  0  0
   11.0550   10.4999    1.0864 C   0  0  0  0  0
    9.7635    9.8249    1.1124 N   0  0  0  0  0
    8.4788   10.2447    1.2008 C   0  0  0  0  0
    7.9226   11.5244    1.3123 C   0  0  0  0  0
    6.5300   11.6210    1.3792 C   0  0  0  0  0
    5.7276   10.4837    1.3296 C   0  0  0  0  0
    6.2982    9.2110    1.2112 C   0  0  0  0  0
    7.7018    9.0766    1.1501 C   0  0  0  0  0
    3.1467    6.7589    5.1030 H   0  0  0  0  0
    3.6291    5.1384    4.5678 H   0  0  0  0  0
    3.1946    6.3701    3.3733 H   0  0  0  0  0
    5.6081    6.5039    5.2606 H   0  0  0  0  0
    5.1770    7.7360    4.0552 H   0  0  0  0  0
    7.5497    7.1244    3.7368 H   0  0  0  0  0
    7.9951    4.6998    2.1023 H   0  0  0  0  0
    9.2158    5.8234    2.7231 H   0  0  0  0  0
    7.1790    6.4335    0.4938 H   0  0  0  0  0
    8.8539    5.9921    0.2241 H   0  0  0  0  0
   11.3201    5.9515    0.9516 H   0  0  0  0  0
   13.8084    5.9130    0.9154 H   0  0  0  0  0
   15.1059    8.0211    0.9414 H   0  0  0  0  0
   13.9486   10.2241    1.0136 H   0  0  0  0  0
   11.1045   11.1146    0.1843 H   0  0  0  0  0
   11.1657   11.0740    2.0090 H   0  0  0  0  0
    8.5431   12.4137    1.3445 H   0  0  0  0  0
    6.0662   12.6011    1.4655 H   0  0  0  0  0
    4.6460   10.5828    1.3770 H   0  0  0  0  0
    5.6595    8.3333    1.1646 H   0  0  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2  3  1  0  0  0
  2 27  1  0  0  0
  2 28  1  0  0  0
  3  5  1  0  0  0
  3  4  2  0  0  0
  5  6  1  0  0  0
  5 29  1  0  0  0
  6  7  1  0  0  0
  6 30  1  0  0  0
  6 31  1  0  0  0
  7  8  1  0  0  0
  7 32  1  0  0  0
  7 33  1  0  0  0
  8  9  2  0  0  0
  8 23  1  0  0  0
  9 10  1  0  0  0
  9 17  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 11 34  1  0  0  0
 12 13  2  0  0  0
 12 35  1  0  0  0
 13 14  1  0  0  0
 13 36  1  0  0  0
 14 15  2  0  0  0
 14 37  1  0  0  0
 15 16  1  0  0  0
 16 17  1  0  0  0
 16 38  1  0  0  0
 16 39  1  0  0  0
 17 18  1  0  0  0
 18 23  1  0  0  0
 18 19  2  0  0  0
 19 20  1  0  0  0
 19 40  1  0  0  0
 20 21  2  0  0  0
 20 41  1  0  0  0
 21 22  1  0  0  0
 21 42  1  0  0  0
 22 23  2  0  0  0
 22 43  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL269175

>  <PubChem CID>
10518621

>  <Formula>
C20H20N2O

>  <Molecular Weight>
304.393000

>  <IUPAC Name>
N-[2-(6H-isoindolo[2,1-a]indol-11-yl)ethyl]propanamide

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
CCC(=O)NCCC1=C2C3=CC=CC=C3CN2C4=CC=CC=C41

>  <Isomeric SMILES>
CCC(=O)NCCC1=C2C3=CC=CC=C3CN2C4=CC=CC=C41

>  <InChI Std. ID>
InChI=1S/C20H20N2O/c1-2-19(23)21-12-11-17-16-9-5-6-10-18(16)22-13-14-7-3-4-8-15(14)20(17)22/h3-10H,2,11-13H2,1H3,(H,21,23)

>  <InChI Key>
CNNNRHUYINPODV-UHFFFAOYSA-N

