
 MLS000705957

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M  END

>  <Chemical Name>
MLS000705957

>  <PubChem CID>
998883

>  <Formula>
C22H20N2O4

>  <Molecular Weight>
376.412000

>  <IUPAC Name>
9-(3,6-dioxocyclohexa-1,4-dien-1-yl)-2-(2-phenylethyl)-3,6,7,8-tetrahydropyrido[1,2-a]pyrazine-1,4-dione

>  <XlogP>
1.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CC(=C2C(=O)N(CC(=O)N2C1)CCC3=CC=CC=C3)C4=CC(=O)C=CC4=O

>  <Isomeric SMILES>
C1CC(=C2C(=O)N(CC(=O)N2C1)CCC3=CC=CC=C3)C4=CC(=O)C=CC4=O

>  <InChI Std. ID>
InChI=1S/C22H20N2O4/c25-16-8-9-19(26)18(13-16)17-7-4-11-24-20(27)14-23(22(28)21(17)24)12-10-15-5-2-1-3-6-15/h1-3,5-6,8-9,13H,4,7,10-12,14H2

>  <InChI Key>
BUOLDNZXUBADKY-UHFFFAOYSA-N

