
 CHEMBL237878

 66 70  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL237878

>  <PubChem CID>
24803167

>  <Formula>
C29H31N3O3

>  <Molecular Weight>
469.585000

>  <IUPAC Name>
N-benzyl-1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]-4-phenylpiperidine-4-carboxamide

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CN(CCC1(C2=CC=CC=C2)C(=O)NCC3=CC=CC=C3)CCN4C(=O)COC5=CC=CC=C54

>  <Isomeric SMILES>
C1CN(CCC1(C2=CC=CC=C2)C(=O)NCC3=CC=CC=C3)CCN4C(=O)COC5=CC=CC=C54

>  <InChI Std. ID>
InChI=1S/C29H31N3O3/c33-27-22-35-26-14-8-7-13-25(26)32(27)20-19-31-17-15-29(16-18-31,24-11-5-2-6-12-24)28(34)30-21-23-9-3-1-4-10-23/h1-14H,15-22H2,(H,30,34)

>  <InChI Key>
HIJDWSULTFPAHX-UHFFFAOYSA-N

