
 SCHEMBL15658462

 56 59  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL15658462

>  <PubChem CID>
74222844

>  <Formula>
C24H27N3O2

>  <Molecular Weight>
389.499000

>  <IUPAC Name>
2-[(3R,6R)-1-(2-cyclopropyl-4-methylbenzoyl)-6-methylpiperidin-3-yl]oxy-3-methylpyridine-4-carbonitrile

>  <XlogP>
4.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1CCC(CN1C(=O)C2=C(C=C(C=C2)C)C3CC3)OC4=NC=CC(=C4C)C#N

>  <Isomeric SMILES>
C[C@@H]1CC[C@H](CN1C(=O)C2=C(C=C(C=C2)C)C3CC3)OC4=NC=CC(=C4C)C#N

>  <InChI Std. ID>
InChI=1S/C24H27N3O2/c1-15-4-9-21(22(12-15)18-6-7-18)24(28)27-14-20(8-5-16(27)2)29-23-17(3)19(13-25)10-11-26-23/h4,9-12,16,18,20H,5-8,14H2,1-3H3/t16-,20-/m1/s1

>  <InChI Key>
AJNUFBMCWNNNIO-OXQOHEQNSA-N

