
 CHEMBL544302

 43 46  0  0  0  0  0  0  0  0999 V2000
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    4.0727    3.1742   -1.0808 C   0  0  0  0  0
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    5.9268    2.9989    4.7662 H   0  0  0  0  0
    3.7164    2.6693    3.8038 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL544302

>  <PubChem CID>
10403016

>  <Formula>
C19H20N2O2

>  <Molecular Weight>
308.381000

>  <IUPAC Name>
4-(naphthalen-1-ylmethyl)-5-piperidin-4-yl-1,2-oxazol-3-one

>  <XlogP>
3.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CNCCC1C2=C(C(=O)NO2)CC3=CC=CC4=CC=CC=C43

>  <Isomeric SMILES>
C1CNCCC1C2=C(C(=O)NO2)CC3=CC=CC4=CC=CC=C43

>  <InChI Std. ID>
InChI=1S/C19H20N2O2/c22-19-17(18(23-21-19)14-8-10-20-11-9-14)12-15-6-3-5-13-4-1-2-7-16(13)15/h1-7,14,20H,8-12H2,(H,21,22)

>  <InChI Key>
JWCYJMXDLRCLCJ-UHFFFAOYSA-N

