
 CHEMBL335010

 52 56  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL335010

>  <PubChem CID>
9998026

>  <Formula>
C22H26N2O2

>  <Molecular Weight>
350.462000

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

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CN(CCN1CC2CC3=CC=CC=C3C2)C4=C5C(=CC=C4)OCCO5

>  <Isomeric SMILES>
C1CN(CCN1CC2CC3=CC=CC=C3C2)C4=C5C(=CC=C4)OCCO5

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

>  <InChI Key>
CBDKXYNKQOGHRL-UHFFFAOYSA-N

