
 CHEMBL536496

 66 70  0  0  0  0  0  0  0  0999 V2000
    6.3725   -4.9177    5.4110 C   0  0  0  0  0
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  1  6  1  0  0  0
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 32 33  2  0  0  0
M  END

>  <Chemical Name>
CHEMBL536496

>  <PubChem CID>
10480461

>  <Formula>
C27H33N3O3

>  <Molecular Weight>
447.579000

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

>  <XlogP>
5.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CCC(CC1)C2=CC=C(C=C2)NC(=O)CN3CCC(CC3)N4C5=CC=CC=C5COC4=O

>  <Isomeric SMILES>
C1CCC(CC1)C2=CC=C(C=C2)NC(=O)CN3CCC(CC3)N4C5=CC=CC=C5COC4=O

>  <InChI Std. ID>
InChI=1S/C27H33N3O3/c31-26(28-23-12-10-21(11-13-23)20-6-2-1-3-7-20)18-29-16-14-24(15-17-29)30-25-9-5-4-8-22(25)19-33-27(30)32/h4-5,8-13,20,24H,1-3,6-7,14-19H2,(H,28,31)

>  <InChI Key>
BKOKJBYJXSVYSS-UHFFFAOYSA-N

