
 SCHEMBL94215

 59 64  0  0  0  0  0  0  0  0999 V2000
    1.2008    0.2297    0.0868 C   0  0  0  0  0
    2.6464    0.2318    0.0881 N   0  0  0  0  0
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    5.8096   -1.3977    0.0299 C   0  0  0  0  0
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    2.6202   -5.1372    0.0027 C   0  0  0  0  0
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    5.9908   -5.2839    1.2395 O   0  0  0  0  0
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    0.8590    0.3999    1.1108 H   0  0  0  0  0
    6.5623    1.6492   -0.8900 H   0  0  0  0  0
    7.4724    1.3013    1.2844 H   0  0  0  0  0
    6.0336    1.9077    2.1072 H   0  0  0  0  0
    8.3197    3.4573    1.0845 H   0  0  0  0  0
    7.0207    3.9559    2.1807 H   0  0  0  0  0
    6.2493    5.2004    0.3289 H   0  0  0  0  0
    7.2440    4.2605   -0.7719 H   0  0  0  0  0
    4.3380    3.6250    1.4711 H   0  0  0  0  0
    3.9000    4.7180    0.1590 H   0  0  0  0  0
    2.1530    2.9473    0.6995 H   0  0  0  0  0
    2.6358    3.0233   -1.0074 H   0  0  0  0  0
    2.1112   -2.5488    0.3754 H   0  0  0  0  0
    6.3406   -3.4464    0.0652 H   0  0  0  0  0
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  6  7  1  0  0  0
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  7  8  1  0  0  0
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  8  9  1  0  0  0
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 32 59  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL94215

>  <PubChem CID>
49869049

>  <Formula>
C27H27N3O2

>  <Molecular Weight>
425.532000

>  <IUPAC Name>
1-(7-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-9-yl)-4-phenylmethoxypyridin-2-one

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CN1C2=C(C3CCCN3CC2)C4=C1C=C(C=C4)N5C=CC(=CC5=O)OCC6=CC=CC=C6

>  <Isomeric SMILES>
CN1C2=C(C3CCCN3CC2)C4=C1C=C(C=C4)N5C=CC(=CC5=O)OCC6=CC=CC=C6

>  <InChI Std. ID>
InChI=1S/C27H27N3O2/c1-28-23-12-14-29-13-5-8-24(29)27(23)22-10-9-20(16-25(22)28)30-15-11-21(17-26(30)31)32-18-19-6-3-2-4-7-19/h2-4,6-7,9-11,15-17,24H,5,8,12-14,18H2,1H3

>  <InChI Key>
AIOLBXVVPXZRPR-UHFFFAOYSA-N

