
 CHEMBL536048

 61 65  0  0  0  0  0  0  0  0999 V2000
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    3.5151    1.9583    3.5298 H   0  0  0  0  0
    2.5837    1.7892    5.8211 H   0  0  0  0  0
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  1  2  1  0  0  0
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  7 16  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL536048

>  <PubChem CID>
10368454

>  <Formula>
C27H27N3O4

>  <Molecular Weight>
457.530000

>  <IUPAC Name>
2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(4-phenoxyphenyl)acetamide

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CN(CCC1N2C3=CC=CC=C3COC2=O)CC(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5

>  <Isomeric SMILES>
C1CN(CCC1N2C3=CC=CC=C3COC2=O)CC(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C27H27N3O4/c31-26(28-21-10-12-24(13-11-21)34-23-7-2-1-3-8-23)18-29-16-14-22(15-17-29)30-25-9-5-4-6-20(25)19-33-27(30)32/h1-13,22H,14-19H2,(H,28,31)

>  <InChI Key>
XIFZMBNDCRRWBC-UHFFFAOYSA-N

