
 MLS000734874

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M  END

>  <Chemical Name>
MLS000734874

>  <PubChem CID>
16189201

>  <Formula>
C23H31N3O3

>  <Molecular Weight>
397.519000

>  <IUPAC Name>
ethyl 1-(1-ethylpyrazole-4-carbonyl)-4-(3-phenylpropyl)piperidine-4-carboxylate

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCN1C=C(C=N1)C(=O)N2CCC(CC2)(CCCC3=CC=CC=C3)C(=O)OCC

>  <Isomeric SMILES>
CCN1C=C(C=N1)C(=O)N2CCC(CC2)(CCCC3=CC=CC=C3)C(=O)OCC

>  <InChI Std. ID>
InChI=1S/C23H31N3O3/c1-3-26-18-20(17-24-26)21(27)25-15-13-23(14-16-25,22(28)29-4-2)12-8-11-19-9-6-5-7-10-19/h5-7,9-10,17-18H,3-4,8,11-16H2,1-2H3

>  <InChI Key>
AAKSJEDIWKZHQD-UHFFFAOYSA-N

