
 RWJ-25730

 67 70  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
RWJ-25730

>  <PubChem CID>
9910257

>  <Formula>
C25H36N4O2

>  <Molecular Weight>
424.589000

>  <IUPAC Name>
1-[[1-methyl-5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]pyrrol-2-yl]methyl]piperidin-2-one

>  <XlogP>
2.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(C)OC1=CC=CC=C1N2CCN(CC2)CC3=CC=C(N3C)CN4CCCCC4=O

>  <Isomeric SMILES>
CC(C)OC1=CC=CC=C1N2CCN(CC2)CC3=CC=C(N3C)CN4CCCCC4=O

>  <InChI Std. ID>
InChI=1S/C25H36N4O2/c1-20(2)31-24-9-5-4-8-23(24)28-16-14-27(15-17-28)18-21-11-12-22(26(21)3)19-29-13-7-6-10-25(29)30/h4-5,8-9,11-12,20H,6-7,10,13-19H2,1-3H3

>  <InChI Key>
BLFPEKXTSDYQOQ-UHFFFAOYSA-N

