
 CHEMBL131011

 52 56  0  0  0  0  0  0  0  0999 V2000
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    3.6611   -8.0143   -2.3148 H   0  0  0  0  0
    2.1120   -8.0448   -3.1803 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL131011

>  <PubChem CID>
10427962

>  <Formula>
C22H26N2O2

>  <Molecular Weight>
350.462000

>  <IUPAC Name>
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(2,3-dihydro-1H-inden-1-ylmethyl)piperazine

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CC2=CC=CC=C2C1CN3CCN(CC3)C4=C5C(=CC=C4)OCCO5

>  <Isomeric SMILES>
C1CC2=CC=CC=C2C1CN3CCN(CC3)C4=C5C(=CC=C4)OCCO5

>  <InChI Std. ID>
InChI=1S/C22H26N2O2/c1-2-5-19-17(4-1)8-9-18(19)16-23-10-12-24(13-11-23)20-6-3-7-21-22(20)26-15-14-25-21/h1-7,18H,8-16H2

>  <InChI Key>
DGDISGPTQDNJPR-UHFFFAOYSA-N

