
 MLS000734475

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M  END

>  <Chemical Name>
MLS000734475

>  <PubChem CID>
16188620

>  <Formula>
C22H30ClN3O2

>  <Molecular Weight>
403.951000

>  <IUPAC Name>
ethyl 4-[(4-chlorophenyl)methyl]-1-(4-pyrazol-1-ylbutan-2-yl)piperidine-4-carboxylate

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCOC(=O)C1(CCN(CC1)C(C)CCN2C=CC=N2)CC3=CC=C(C=C3)Cl

>  <Isomeric SMILES>
CCOC(=O)C1(CCN(CC1)C(C)CCN2C=CC=N2)CC3=CC=C(C=C3)Cl

>  <InChI Std. ID>
InChI=1S/C22H30ClN3O2/c1-3-28-21(27)22(17-19-5-7-20(23)8-6-19)10-15-25(16-11-22)18(2)9-14-26-13-4-12-24-26/h4-8,12-13,18H,3,9-11,14-17H2,1-2H3

>  <InChI Key>
DCJXDQFEKZGDHZ-UHFFFAOYSA-N

