
 GR 103691

 71 74  0  0  0  0  0  0  0  0999 V2000
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    6.8592   12.0357   -5.5022 N   0  0  0  0  0
    6.9133   12.9306   -4.3217 C   0  0  0  0  0
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    5.5208    1.9218    0.2122 H   0  0  0  0  0
    3.6744    2.2382   -3.6808 H   0  0  0  0  0
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    7.1889    3.1167   -0.9729 H   0  0  0  0  0
    8.1966    5.3320   -1.2773 H   0  0  0  0  0
    4.6262    6.6788   -3.2822 H   0  0  0  0  0
    3.6014    4.4955   -2.9554 H   0  0  0  0  0
    6.2921    7.6206   -4.4101 H   0  0  0  0  0
    7.3883   10.0085   -3.0664 H   0  0  0  0  0
    6.4191    9.8843   -4.5511 H   0  0  0  0  0
    8.3796    8.9079   -5.7592 H   0  0  0  0  0
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   10.0411   10.7351   -5.6414 H   0  0  0  0  0
    9.2990   11.3880   -4.2026 H   0  0  0  0  0
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    7.2154   14.9585   -3.6841 H   0  0  0  0  0
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    8.3871   15.7086   -9.6939 H   0  0  0  0  0
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M  END

>  <Chemical Name>
GR 103691

>  <PubChem CID>
4302960

>  <Formula>
C30H35N3O3

>  <Molecular Weight>
485.628000

>  <IUPAC Name>
4-(4-acetylphenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide

>  <XlogP>
4.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NCCCCN3CCN(CC3)C4=CC=CC=C4OC

>  <Isomeric SMILES>
CC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NCCCCN3CCN(CC3)C4=CC=CC=C4OC

>  <InChI Std. ID>
InChI=1S/C30H35N3O3/c1-23(34)24-9-11-25(12-10-24)26-13-15-27(16-14-26)30(35)31-17-5-6-18-32-19-21-33(22-20-32)28-7-3-4-8-29(28)36-2/h3-4,7-16H,5-6,17-22H2,1-2H3,(H,31,35)

>  <InChI Key>
JARNORYOPMINDY-UHFFFAOYSA-N

