
 CHEMBL3770072

 63 67  0  0  0  0  0  0  0  0999 V2000
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    3.9221   -3.9176   -2.1103 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3770072

>  <PubChem CID>
127027196

>  <Formula>
C28H32N2O

>  <Molecular Weight>
412.577000

>  <IUPAC Name>
1-benzyl-4-[(5,5-diphenyloxolan-2-yl)methyl]piperazine

>  <XlogP>
5.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CC(OC1CN2CCN(CC2)CC3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

>  <Isomeric SMILES>
C1CC(OC1CN2CCN(CC2)CC3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C28H32N2O/c1-4-10-24(11-5-1)22-29-18-20-30(21-19-29)23-27-16-17-28(31-27,25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,27H,16-23H2

>  <InChI Key>
AHOQPKNCYXWBKI-UHFFFAOYSA-N

