
 SCHEMBL932091

 54 57  0  0  0  0  0  0  0  0999 V2000
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    9.1599    0.6365   -0.5359 C   0  0  0  0  0
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    8.0175   -0.0031   -0.0025 C   0  0  0  0  0
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    8.5396    2.8132    0.2992 C   0  0  0  0  0
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   10.8704   -1.6641   -2.9131 H   0  0  0  0  0
   11.6761   -1.8980   -1.3178 H   0  0  0  0  0
   11.2168    3.1426   -1.1561 H   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL932091

>  <PubChem CID>
59636731

>  <Formula>
C22H25FN4O2

>  <Molecular Weight>
396.466000

>  <IUPAC Name>
7-[4-[2-(5-fluoropyridin-2-yl)ethyl]piperazin-1-yl]-N,N-dimethyl-1-benzofuran-2-carboxamide

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CN(C)C(=O)C1=CC2=C(O1)C(=CC=C2)N3CCN(CC3)CCC4=NC=C(C=C4)F

>  <Isomeric SMILES>
CN(C)C(=O)C1=CC2=C(O1)C(=CC=C2)N3CCN(CC3)CCC4=NC=C(C=C4)F

>  <InChI Std. ID>
InChI=1S/C22H25FN4O2/c1-25(2)22(28)20-14-16-4-3-5-19(21(16)29-20)27-12-10-26(11-13-27)9-8-18-7-6-17(23)15-24-18/h3-7,14-15H,8-13H2,1-2H3

>  <InChI Key>
JYXZCGMXPABTBZ-UHFFFAOYSA-N

