
 CHEMBL110871

 69 72  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL110871

>  <PubChem CID>
511299

>  <Formula>
C28H37BrN2O

>  <Molecular Weight>
497.521000

>  <IUPAC Name>
[4-[4-[1-(4-bromophenyl)ethyl]piperidin-1-yl]-4-methylpiperidin-1-yl]-(2,6-dimethylphenyl)methanone

>  <XlogP>
6.6

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC1=C(C(=CC=C1)C)C(=O)N2CCC(CC2)(C)N3CCC(CC3)C(C)C4=CC=C(C=C4)Br

>  <Isomeric SMILES>
CC1=C(C(=CC=C1)C)C(=O)N2CCC(CC2)(C)N3CCC(CC3)C(C)C4=CC=C(C=C4)Br

>  <InChI Std. ID>
InChI=1S/C28H37BrN2O/c1-20-6-5-7-21(2)26(20)27(32)30-18-14-28(4,15-19-30)31-16-12-24(13-17-31)22(3)23-8-10-25(29)11-9-23/h5-11,22,24H,12-19H2,1-4H3

>  <InChI Key>
UHYXGTUWXYIOFH-UHFFFAOYSA-N

