
 CHEMBL179648

 50 53  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL179648

>  <PubChem CID>
10758200

>  <Formula>
C21H26N2O

>  <Molecular Weight>
322.452000

>  <IUPAC Name>
1-benzyl-4-(3,4-dihydro-2H-chromen-2-ylmethyl)piperazine

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CC2=CC=CC=C2OC1CN3CCN(CC3)CC4=CC=CC=C4

>  <Isomeric SMILES>
C1CC2=CC=CC=C2OC1CN3CCN(CC3)CC4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C21H26N2O/c1-2-6-18(7-3-1)16-22-12-14-23(15-13-22)17-20-11-10-19-8-4-5-9-21(19)24-20/h1-9,20H,10-17H2

>  <InChI Key>
AJZBPCAHQHCXMX-UHFFFAOYSA-N

