
 MLS000756415

 50 53  0  0  0  0  0  0  0  0999 V2000
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   10.4070    4.7495    1.7582 C   0  0  0  0  0
    9.0292    5.1566    1.2151 C   0  0  0  0  0
    9.0558    6.4966    0.4497 C   0  0  0  0  0
    7.7500    7.0392    0.2513 O   0  0  0  0  0
    8.4522    4.0839    0.4028 N   0  0  0  0  0
    7.0942    3.9143    0.2773 C   0  0  0  0  0
    6.2945    4.6566    0.8484 O   0  0  0  0  0
    6.6302    2.8282   -0.6963 C   0  0  0  0  0
    7.5692    1.6140   -0.7844 C   0  0  0  0  0
    8.6908    1.8291   -1.7283 N   0  0  0  0  0
    8.1612    2.0453   -3.1209 C   0  0  0  0  0
    9.3497    2.3015   -4.1261 C   0  0  0  0  0
    8.8847    2.9000   -5.4048 C   0  0  0  0  0
    9.4506    2.9933   -6.6546 C   0  0  0  0  0
    8.5899    3.7217   -7.4468 N   0  0  0  0  0
    7.4776    4.0951   -6.7239 C   0  0  0  0  0
    6.3520    4.8470   -7.0659 C   0  0  0  0  0
    5.3927    5.0405   -6.0618 C   0  0  0  0  0
    5.5543    4.5043   -4.7763 C   0  0  0  0  0
    6.6944    3.7599   -4.4421 C   0  0  0  0  0
    7.6465    3.5716   -5.4524 C   0  0  0  0  0
    7.0356    3.1273   -3.1447 C   0  0  0  0  0
    6.3736    3.4785   -2.0256 C   0  0  0  0  0
    9.6045    0.6835   -1.6600 C   0  0  0  0  0
   12.4245    4.2566    1.1855 H   0  0  0  0  0
   11.6719    5.4641    0.1379 H   0  0  0  0  0
   11.2162    3.7525    0.0003 H   0  0  0  0  0
   10.7510    5.5155    2.4644 H   0  0  0  0  0
   10.3037    3.8200    2.3321 H   0  0  0  0  0
    8.3651    5.2838    2.0801 H   0  0  0  0  0
    9.5202    6.3815   -0.5349 H   0  0  0  0  0
    9.6247    7.2442    1.0120 H   0  0  0  0  0
    7.0936    6.3381    0.4478 H   0  0  0  0  0
    9.0172    3.6606   -0.3328 H   0  0  0  0  0
    5.6738    2.4613   -0.3004 H   0  0  0  0  0
    6.9917    0.7315   -1.0932 H   0  0  0  0  0
    7.9633    1.3951    0.2168 H   0  0  0  0  0
    7.6689    1.1160   -3.4511 H   0  0  0  0  0
    9.8613    1.3552   -4.3421 H   0  0  0  0  0
   10.0817    2.9811   -3.6728 H   0  0  0  0  0
   10.3893    2.6295   -7.0518 H   0  0  0  0  0
    8.7533    3.9657   -8.4133 H   0  0  0  0  0
    6.2206    5.2693   -8.0559 H   0  0  0  0  0
    4.5009    5.6223   -6.2846 H   0  0  0  0  0
    4.7714    4.6795   -4.0437 H   0  0  0  0  0
    5.6084    4.2496   -2.0271 H   0  0  0  0  0
    9.9451    0.5272   -0.6298 H   0  0  0  0  0
   10.5131    0.8612   -2.2433 H   0  0  0  0  0
    9.1357   -0.2424   -2.0108 H   0  0  0  0  0
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  1 26  1  0  0  0
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  4  5  1  0  0  0
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M  END

>  <Chemical Name>
MLS000756415

>  <PubChem CID>
4140

>  <Formula>
C20H25N3O2

>  <Molecular Weight>
339.439000

>  <IUPAC Name>
N-(1-hydroxybutan-2-yl)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide

>  <XlogP>
2.300

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCC(CO)NC(=O)C1CN(C2CC3=CNC4=CC=CC(=C34)C2=C1)C

>  <Isomeric SMILES>
CCC(CO)NC(=O)C1CN(C2CC3=CNC4=CC=CC(=C34)C2=C1)C

>  <InChI Std. ID>
InChI=1S/C20H25N3O2/c1-3-14(11-24)22-20(25)13-7-16-15-5-4-6-17-19(15)12(9-21-17)8-18(16)23(2)10-13/h4-7,9,13-14,18,21,24H,3,8,10-11H2,1-2H3,(H,22,25)

>  <InChI Key>
UNBRKDKAWYKMIV-UHFFFAOYSA-N

