
 MLS000735125

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M  END

>  <Chemical Name>
MLS000735125

>  <PubChem CID>
16190804

>  <Formula>
C23H32FN3O2

>  <Molecular Weight>
401.526000

>  <IUPAC Name>
ethyl 4-[(3-fluorophenyl)methyl]-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-4-carboxylate

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCCN1C(=C(C=N1)CN2CCC(CC2)(CC3=CC(=CC=C3)F)C(=O)OCC)C

>  <Isomeric SMILES>
CCCN1C(=C(C=N1)CN2CCC(CC2)(CC3=CC(=CC=C3)F)C(=O)OCC)C

>  <InChI Std. ID>
InChI=1S/C23H32FN3O2/c1-4-11-27-18(3)20(16-25-27)17-26-12-9-23(10-13-26,22(28)29-5-2)15-19-7-6-8-21(24)14-19/h6-8,14,16H,4-5,9-13,15,17H2,1-3H3

>  <InChI Key>
AAEUUDDQBCAIDK-UHFFFAOYSA-N

