
 SCHEMBL7907941

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M  END

>  <Chemical Name>
SCHEMBL7907941

>  <PubChem CID>
45259003

>  <Formula>
C24H23N5O2

>  <Molecular Weight>
413.481000

>  <IUPAC Name>
[(2R,5R)-5-isoquinolin-1-yloxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone

>  <XlogP>
4.5

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1CCC(CN1C(=O)C2=CC=CC=C2N3N=CC=N3)OC4=NC=CC5=CC=CC=C54

>  <Isomeric SMILES>
C[C@@H]1CC[C@H](CN1C(=O)C2=CC=CC=C2N3N=CC=N3)OC4=NC=CC5=CC=CC=C54

>  <InChI Std. ID>
InChI=1S/C24H23N5O2/c1-17-10-11-19(31-23-20-7-3-2-6-18(20)12-13-25-23)16-28(17)24(30)21-8-4-5-9-22(21)29-26-14-15-27-29/h2-9,12-15,17,19H,10-11,16H2,1H3/t17-,19-/m1/s1

>  <InChI Key>
AQKJXQYTVDPWOS-IEBWSBKVSA-N

