
 IIK7

 50 53  0  0  0  0  0  0  0  0999 V2000
    7.5215   10.5007   -3.9241 C   0  0  0  0  0
    6.9113    9.2357   -3.3446 C   0  0  0  0  0
    7.6521    8.7800   -2.0906 C   0  0  0  0  0
    7.0239    7.5457   -1.4758 C   0  0  0  0  0
    6.0506    6.9674   -1.9471 O   0  0  0  0  0
    7.6482    7.1476   -0.3156 N   0  0  0  0  0
    7.2157    5.9701    0.4107 C   0  0  0  0  0
    7.7610    4.6608   -0.1657 C   0  0  0  0  0
    9.2554    4.5525   -0.1200 C   0  0  0  0  0
   10.1286    4.4811   -1.1800 C   0  0  0  0  0
   10.2064    4.4788   -2.6163 C   0  0  0  0  0
    9.2363    4.6403   -3.5823 C   0  0  0  0  0
    9.6379    4.5875   -4.9211 C   0  0  0  0  0
   10.9863    4.3782   -5.2675 C   0  0  0  0  0
   11.9653    4.2229   -4.2826 C   0  0  0  0  0
   11.5641    4.2795   -2.9591 C   0  0  0  0  0
   12.4115    4.1550   -1.7106 C   0  0  0  0  0
   11.3956    4.3140   -0.6774 N   0  0  0  0  0
   11.4202    4.3368    0.6765 C   0  0  0  0  0
   10.0813    4.4748    1.0713 C   0  0  0  0  0
    9.7952    4.5079    2.4563 C   0  0  0  0  0
   10.8372    4.4380    3.3882 C   0  0  0  0  0
   12.1546    4.3015    2.9500 C   0  0  0  0  0
   12.4743    4.2409    1.5898 C   0  0  0  0  0
   10.6918    4.4896    4.7497 O   0  0  0  0  0
    9.3791    4.7211    5.2461 C   0  0  0  0  0
    6.9866   10.7980   -4.8315 H   0  0  0  0  0
    8.5734   10.3458   -4.1837 H   0  0  0  0  0
    7.4614   11.3274   -3.2088 H   0  0  0  0  0
    6.9343    8.4414   -4.1002 H   0  0  0  0  0
    5.8554    9.4196   -3.1111 H   0  0  0  0  0
    7.6386    9.5788   -1.3395 H   0  0  0  0  0
    8.6964    8.5519   -2.3327 H   0  0  0  0  0
    8.5703    7.5124   -0.1099 H   0  0  0  0  0
    6.1199    5.9373    0.3991 H   0  0  0  0  0
    7.5269    6.1113    1.4496 H   0  0  0  0  0
    7.4051    4.5365   -1.1934 H   0  0  0  0  0
    7.3395    3.8234    0.4047 H   0  0  0  0  0
    8.1960    4.8065   -3.3266 H   0  0  0  0  0
    8.8958    4.7096   -5.7074 H   0  0  0  0  0
   11.2672    4.3388   -6.3180 H   0  0  0  0  0
   13.0034    4.0638   -4.5546 H   0  0  0  0  0
   13.1356    4.9670   -1.6135 H   0  0  0  0  0
   12.8565    3.1624   -1.6066 H   0  0  0  0  0
    8.7623    4.5925    2.7680 H   0  0  0  0  0
   12.9548    4.2396    3.6847 H   0  0  0  0  0
   13.5035    4.1291    1.2662 H   0  0  0  0  0
    9.4392    4.7820    6.3369 H   0  0  0  0  0
    8.7118    3.8900    4.9952 H   0  0  0  0  0
    8.9790    5.6736    4.8819 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  3  1  0  0  0
  2 30  1  0  0  0
  2 31  1  0  0  0
  3  4  1  0  0  0
  3 32  1  0  0  0
  3 33  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6  7  1  0  0  0
  6 34  1  0  0  0
  7  8  1  0  0  0
  7 35  1  0  0  0
  7 36  1  0  0  0
  8  9  1  0  0  0
  8 37  1  0  0  0
  8 38  1  0  0  0
  9 10  2  0  0  0
  9 20  1  0  0  0
 10 11  1  0  0  0
 10 18  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12 39  1  0  0  0
 13 14  2  0  0  0
 13 40  1  0  0  0
 14 15  1  0  0  0
 14 41  1  0  0  0
 15 16  2  0  0  0
 15 42  1  0  0  0
 16 17  1  0  0  0
 17 18  1  0  0  0
 17 43  1  0  0  0
 17 44  1  0  0  0
 18 19  1  0  0  0
 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
 21 22  2  0  0  0
 21 45  1  0  0  0
 22 23  1  0  0  0
 22 25  1  0  0  0
 23 24  2  0  0  0
 23 46  1  0  0  0
 24 47  1  0  0  0
 25 26  1  0  0  0
 26 48  1  0  0  0
 26 49  1  0  0  0
 26 50  1  0  0  0
M  END

>  <Chemical Name>
IIK7

>  <PubChem CID>
4172142

>  <Formula>
C22H24N2O2

>  <Molecular Weight>
348.446000

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

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCCC(=O)NCCC1=C2C3=CC=CC=C3CN2C4=C1C=C(C=C4)OC

>  <Isomeric SMILES>
CCCC(=O)NCCC1=C2C3=CC=CC=C3CN2C4=C1C=C(C=C4)OC

>  <InChI Std. ID>
InChI=1S/C22H24N2O2/c1-3-6-21(25)23-12-11-18-19-13-16(26-2)9-10-20(19)24-14-15-7-4-5-8-17(15)22(18)24/h4-5,7-10,13H,3,6,11-12,14H2,1-2H3,(H,23,25)

>  <InChI Key>
RQYIUGOJQFWLAZ-UHFFFAOYSA-N

