
 CHEMBL257187

 63 67  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL257187

>  <PubChem CID>
44448396

>  <Formula>
C28H32N2O

>  <Molecular Weight>
412.577000

>  <IUPAC Name>
2-naphthalen-2-yl-1-[(2R,3R)-3-phenyl-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone

>  <XlogP>
5.4

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CCN(C1)CC2C(CCCN2C(=O)CC3=CC4=CC=CC=C4C=C3)C5=CC=CC=C5

>  <Isomeric SMILES>
C1CCN(C1)C[C@H]2[C@H](CCCN2C(=O)CC3=CC4=CC=CC=C4C=C3)C5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C28H32N2O/c31-28(20-22-14-15-23-9-4-5-12-25(23)19-22)30-18-8-13-26(24-10-2-1-3-11-24)27(30)21-29-16-6-7-17-29/h1-5,9-12,14-15,19,26-27H,6-8,13,16-18,20-21H2/t26-,27+/m1/s1

>  <InChI Key>
BADKXRONBCXDKA-SXOMAYOGSA-N

