
 CHEMBL401929

 74 79  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL401929

>  <PubChem CID>
44447732

>  <Formula>
C33H36N4O

>  <Molecular Weight>
504.678000

>  <IUPAC Name>
[4-methyl-4-[4-(N-pyridin-3-ylanilino)piperidin-1-yl]piperidin-1-yl]-naphthalen-1-ylmethanone

>  <XlogP>
6.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1(CCN(CC1)C(=O)C2=CC=CC3=CC=CC=C32)N4CCC(CC4)N(C5=CC=CC=C5)C6=CN=CC=C6

>  <Isomeric SMILES>
CC1(CCN(CC1)C(=O)C2=CC=CC3=CC=CC=C32)N4CCC(CC4)N(C5=CC=CC=C5)C6=CN=CC=C6

>  <InChI Std. ID>
InChI=1S/C33H36N4O/c1-33(18-23-35(24-19-33)32(38)31-15-7-10-26-9-5-6-14-30(26)31)36-21-16-28(17-22-36)37(27-11-3-2-4-12-27)29-13-8-20-34-25-29/h2-15,20,25,28H,16-19,21-24H2,1H3

>  <InChI Key>
OYJCCUUCPLNDIZ-UHFFFAOYSA-N

