
 2-{4-[4-(Furan-2-carbonyl)-piperazin-1-yl]-butyl}-isoindole-1,3-dione

 51 54  0  0  0  0  0  0  0  0999 V2000
    2.9075   -1.1254    0.1486 C   0  0  0  0  0
    2.7272   -2.0788   -1.0514 C   0  0  0  0  0
    1.6104   -2.9880   -0.7993 N   0  0  0  0  0
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    2.9634    1.4414    1.6608 C   0  0  0  0  0
    3.1407    2.2174    2.9694 C   0  0  0  0  0
    4.2897    3.2343    2.8961 C   0  0  0  0  0
    5.5783    2.6091    2.6475 N   0  0  0  0  0
    6.3283    1.9909    3.6109 C   0  0  0  0  0
    6.1196    1.8962    4.8056 O   0  0  0  0  0
    7.4709    1.3881    2.9256 C   0  0  0  0  0
    8.5187    0.6352    3.4187 C   0  0  0  0  0
    9.4441    0.1427    2.4922 C   0  0  0  0  0
    9.2993    0.4064    1.1137 C   0  0  0  0  0
    8.2313    1.1743    0.6398 C   0  0  0  0  0
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    5.7072    2.8242    0.3216 O   0  0  0  0  0
    1.7781   -4.1951   -0.0980 C   0  0  0  0  0
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    3.2431   -1.7065    1.0177 H   0  0  0  0  0
    3.7097   -0.4324   -0.1244 H   0  0  0  0  0
    3.6686   -2.5979   -1.2248 H   0  0  0  0  0
    2.4982   -1.5088   -1.9600 H   0  0  0  0  0
    0.1453   -1.6871   -1.4919 H   0  0  0  0  0
   -0.4666   -2.9432   -0.4115 H   0  0  0  0  0
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    2.7730    2.1401    0.8373 H   0  0  0  0  0
    3.9033    0.9265    1.4491 H   0  0  0  0  0
    3.3286    1.5110    3.7874 H   0  0  0  0  0
    2.2122    2.7484    3.2096 H   0  0  0  0  0
    4.3515    3.7686    3.8508 H   0  0  0  0  0
    4.0910    3.9654    2.1047 H   0  0  0  0  0
    8.6113    0.4288    4.4802 H   0  0  0  0  0
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   10.0266    0.0024    0.4111 H   0  0  0  0  0
    8.1009    1.3779   -0.4183 H   0  0  0  0  0
    3.2563   -6.1163    1.5868 H   0  0  0  0  0
    5.5481   -6.9737    0.3566 H   0  0  0  0  0
    5.5325   -5.6696   -2.0808 H   0  0  0  0  0
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M  END

>  <Chemical Name>
2-{4-[4-(Furan-2-carbonyl)-piperazin-1-yl]-butyl}-isoindole-1,3-dione

>  <PubChem CID>
646155

>  <Formula>
C21H23N3O4

>  <Molecular Weight>
381.432000

>  <IUPAC Name>
2-[4-[4-(furan-2-carbonyl)piperazin-1-yl]butyl]isoindole-1,3-dione

>  <XlogP>
2.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CN(CCN1CCCCN2C(=O)C3=CC=CC=C3C2=O)C(=O)C4=CC=CO4

>  <Isomeric SMILES>
C1CN(CCN1CCCCN2C(=O)C3=CC=CC=C3C2=O)C(=O)C4=CC=CO4

>  <InChI Std. ID>
InChI=1S/C21H23N3O4/c25-19-16-6-1-2-7-17(16)20(26)24(19)10-4-3-9-22-11-13-23(14-12-22)21(27)18-8-5-15-28-18/h1-2,5-8,15H,3-4,9-14H2

>  <InChI Key>
IDNJGJKFUHTLFV-UHFFFAOYSA-N

