
 SCHEMBL15746099

 52 55  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL15746099

>  <PubChem CID>
90181067

>  <Formula>
C21H25N3O3

>  <Molecular Weight>
367.449000

>  <IUPAC Name>
1-(2-methyl-2,3-dihydroindol-1-yl)-2-[(2R)-2-(pyridin-4-yloxymethyl)morpholin-4-yl]ethanone

>  <XlogP>
2.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1CC2=CC=CC=C2N1C(=O)CN3CCOC(C3)COC4=CC=NC=C4

>  <Isomeric SMILES>
CC1CC2=CC=CC=C2N1C(=O)CN3CCO[C@H](C3)COC4=CC=NC=C4

>  <InChI Std. ID>
InChI=1S/C21H25N3O3/c1-16-12-17-4-2-3-5-20(17)24(16)21(25)14-23-10-11-26-19(13-23)15-27-18-6-8-22-9-7-18/h2-9,16,19H,10-15H2,1H3/t16?,19-/m1/s1

>  <InChI Key>
IZLYGFLPNZLQKP-LRTDYKAYSA-N

