
 CHEMBL169702

 58 60  0  0  0  0  0  0  0  0999 V2000
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    6.3699    0.2172   -0.2016 H   0  0  0  0  0
    4.0222    0.8692    0.6889 H   0  0  0  0  0
    3.6142    0.9613   -1.0271 H   0  0  0  0  0
    4.5399    2.9982    1.6397 H   0  0  0  0  0
    5.4260    5.2764    1.4516 H   0  0  0  0  0
    6.5045    4.5192   -2.6559 H   0  0  0  0  0
    5.6245    2.2364   -2.4632 H   0  0  0  0  0
    6.3377    7.0347    0.1966 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL169702

>  <PubChem CID>
44382571

>  <Formula>
C23H31N3O

>  <Molecular Weight>
365.521000

>  <IUPAC Name>
N-[[4-[4-(4-phenylpiperazin-1-yl)butyl]phenyl]methyl]acetamide

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(=O)NCC1=CC=C(C=C1)CCCCN2CCN(CC2)C3=CC=CC=C3

>  <Isomeric SMILES>
CC(=O)NCC1=CC=C(C=C1)CCCCN2CCN(CC2)C3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C23H31N3O/c1-20(27)24-19-22-12-10-21(11-13-22)7-5-6-14-25-15-17-26(18-16-25)23-8-3-2-4-9-23/h2-4,8-13H,5-7,14-19H2,1H3,(H,24,27)

>  <InChI Key>
DLRMISVWHXXKOL-UHFFFAOYSA-N

