
 SC-52491

 42 45  0  0  0  0  0  0  0  0999 V2000
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    7.1225   -1.7300   -3.6925 O   0  0  0  0  0
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    6.8499   -4.2966   -0.3484 C   0  0  0  0  0
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    5.7016   -0.7418   -8.3392 H   0  0  0  0  0
    4.0297   -0.9876   -8.4177 H   0  0  0  0  0
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M  END

>  <Chemical Name>
SC-52491

>  <PubChem CID>
9885123

>  <Formula>
C16H20ClN3O2

>  <Molecular Weight>
321.805000

>  <IUPAC Name>


>  <XlogP>
1.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
COC1=CC(=C(C=C1C(=O)NC2C3CC4C2CN(C4)C3)Cl)N

>  <Isomeric SMILES>
COC1=CC(=C(C=C1C(=O)NC2C3CC4C2CN(C4)C3)Cl)N

>  <InChI Std. ID>
InChI=1S/C16H20ClN3O2/c1-22-14-4-13(18)12(17)3-10(14)16(21)19-15-9-2-8-5-20(6-9)7-11(8)15/h3-4,8-9,11,15H,2,5-7,18H2,1H3,(H,19,21)

>  <InChI Key>
MRKYTIJPEALHEE-UHFFFAOYSA-N

