
 CID 44581146

 62 66  0  0  0  0  0  0  0  0999 V2000
    4.9325    1.6933    1.2215 C   0  0  0  0  0
    3.6558    1.9269    0.6410 O   0  0  0  0  0
    3.4424    1.4355   -0.6186 C   0  0  0  0  0
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    2.2041    1.7058   -1.2413 C   0  0  0  0  0
    1.0980    2.4190   -0.8203 N   0  0  0  0  0
    0.9347    3.0994    0.4520 C   0  0  0  0  0
   -0.2649    4.0544    0.4340 C   0  0  0  0  0
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   -6.1970    0.7957    0.4118 N   0  0  0  0  0
   -6.9283    0.8782    1.5769 C   0  0  0  0  0
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   -8.6061   -4.1882    3.6919 C   0  0  0  0  0
   -8.2044   -2.9712    3.1171 C   0  0  0  0  0
   -7.1553   -2.9683    2.0300 C   0  0  0  0  0
   -6.8085   -1.6354    1.5440 N   0  0  0  0  0
    5.7285    2.1503    0.6241 H   0  0  0  0  0
    5.1104    0.6227    1.3675 H   0  0  0  0  0
    4.9436    2.1681    2.2073 H   0  0  0  0  0
    5.3368    0.4151   -0.9351 H   0  0  0  0  0
    4.8113   -0.3989   -3.1635 H   0  0  0  0  0
    2.6208    0.0894   -4.2157 H   0  0  0  0  0
    0.8039    2.3214    1.2123 H   0  0  0  0  0
    1.8457    3.6688    0.6589 H   0  0  0  0  0
   -0.4626    4.3636    1.4677 H   0  0  0  0  0
   -0.0039    4.9624   -0.1278 H   0  0  0  0  0
   -1.2122    3.9871   -2.1896 H   0  0  0  0  0
   -1.9998    2.4199   -1.9305 H   0  0  0  0  0
    0.0338    1.4585   -3.7492 H   0  0  0  0  0
   -2.4377    5.2635   -0.5391 H   0  0  0  0  0
   -2.7450    4.5772    1.0516 H   0  0  0  0  0
   -3.9218    3.5409   -1.5720 H   0  0  0  0  0
   -4.7283    4.5252   -0.3698 H   0  0  0  0  0
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   -7.5222   -3.5551    1.1799 H   0  0  0  0  0
   -6.2474   -3.4511    2.4096 H   0  0  0  0  0
   -5.8079   -1.5093    1.4049 H   0  0  0  0  0
  1  2  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  2  3  1  0  0  0
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  4  5  1  0  0  0
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 32 62  1  0  0  0
M  END

>  <Chemical Name>
CID 44581146

>  <PubChem CID>
44581146

>  <Formula>
C26H30N4O2

>  <Molecular Weight>
430.552000

>  <IUPAC Name>
N-[4-(6-methoxy-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)butyl]-1,2-dihydroisoquinoline-3-carboxamide

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
COC1=CC=CC2=C1N3CCN(CC3=C2)CCCCNC(=O)C4=CC5=CC=CC=C5CN4

>  <Isomeric SMILES>
COC1=CC=CC2=C1N3CCN(CC3=C2)CCCCNC(=O)C4=CC5=CC=CC=C5CN4

>  <InChI Std. ID>
InChI=1S/C26H30N4O2/c1-32-24-10-6-9-20-15-22-18-29(13-14-30(22)25(20)24)12-5-4-11-27-26(31)23-16-19-7-2-3-8-21(19)17-28-23/h2-3,6-10,15-16,28H,4-5,11-14,17-18H2,1H3,(H,27,31)

>  <InChI Key>
AKMKMWQSLNWMNJ-UHFFFAOYSA-N

