
 CHEMBL125742

 59 61  0  0  0  0  0  0  0  0999 V2000
    5.6935    1.8810    4.1057 C   0  0  0  0  0
    6.9880    1.5605    3.3774 C   0  0  0  0  0
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    7.9015    7.3571   -1.2410 N   0  0  0  0  0
    8.0687    6.4942   -2.4389 C   0  0  0  0  0
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    5.2243    0.9760    4.5009 H   0  0  0  0  0
    4.9743    2.3775    3.4470 H   0  0  0  0  0
    7.6629    1.0003    4.0342 H   0  0  0  0  0
    7.4951    2.4992    3.1525 H   0  0  0  0  0
    7.3122   -1.0015    3.1073 H   0  0  0  0  0
    7.1349   -1.1113    1.3613 H   0  0  0  0  0
    4.8193   -0.8524    3.3495 H   0  0  0  0  0
    5.2656   -2.2782    2.4090 H   0  0  0  0  0
    4.6301   -0.8402    1.5941 H   0  0  0  0  0
    4.4661    2.8889    0.0567 H   0  0  0  0  0
    4.5546    5.2807   -0.5322 H   0  0  0  0  0
    8.7259    5.3904    0.5889 H   0  0  0  0  0
    8.6349    2.9840    1.1353 H   0  0  0  0  0
    5.8166    7.1703   -1.0697 H   0  0  0  0  0
    8.5948    7.8640    1.3979 H   0  0  0  0  0
    5.9326    9.9648    4.0497 H   0  0  0  0  0
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    9.3506    9.6870    5.3472 H   0  0  0  0  0
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    9.0748    6.6818   -2.8399 H   0  0  0  0  0
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    6.9541   10.0671   -3.2003 H   0  0  0  0  0
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    8.8551    9.0208   -2.0855 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL125742

>  <PubChem CID>
11794240

>  <Formula>
C23H31N3O2

>  <Molecular Weight>
381.520000

>  <IUPAC Name>
N,N-diethyl-4-[(3-methoxyphenyl)-piperazin-1-ylmethyl]benzamide

>  <XlogP>
3.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCN(CC)C(=O)C1=CC=C(C=C1)C(C2=CC(=CC=C2)OC)N3CCNCC3

>  <Isomeric SMILES>
CCN(CC)C(=O)C1=CC=C(C=C1)C(C2=CC(=CC=C2)OC)N3CCNCC3

>  <InChI Std. ID>
InChI=1S/C23H31N3O2/c1-4-25(5-2)23(27)19-11-9-18(10-12-19)22(26-15-13-24-14-16-26)20-7-6-8-21(17-20)28-3/h6-12,17,22,24H,4-5,13-16H2,1-3H3

>  <InChI Key>
ABHGGPDVTGXLFS-UHFFFAOYSA-N

