
 CHEMBL558393

 52 54  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL558393

>  <PubChem CID>
10433144

>  <Formula>
C21H23Cl2N3O3

>  <Molecular Weight>
436.333000

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

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CN(CCC1N2C3=CC=CC=C3COC2=O)CC(=O)NC4=CC=C(C=C4)Cl.Cl

>  <Isomeric SMILES>
C1CN(CCC1N2C3=CC=CC=C3COC2=O)CC(=O)NC4=CC=C(C=C4)Cl.Cl

>  <InChI Std. ID>
InChI=1S/C21H22ClN3O3.ClH/c22-16-5-7-17(8-6-16)23-20(26)13-24-11-9-18(10-12-24)25-19-4-2-1-3-15(19)14-28-21(25)27;/h1-8,18H,9-14H2,(H,23,26);1H

>  <InChI Key>
VTDZGNYDXGUTEA-UHFFFAOYSA-N

