
 CHEMBL254963

 57 60  0  0  0  0  0  0  0  0999 V2000
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    8.6874    0.6324   -3.9075 C   0  0  0  0  0
    8.4075    0.0644   -2.6624 C   0  0  0  0  0
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    2.2060    2.2347    1.2327 H   0  0  0  0  0
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    1.8286   -5.7210    3.7005 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL254963

>  <PubChem CID>
11962970

>  <Formula>
C26H24ClN3O3

>  <Molecular Weight>
461.946000

>  <IUPAC Name>
benzyl N-[1-[(5-chloro-2-phenylmethoxyphenyl)methyl]-5-methylpyrazol-3-yl]carbamate

>  <XlogP>
5.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=CC(=NN1CC2=C(C=CC(=C2)Cl)OCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

>  <Isomeric SMILES>
CC1=CC(=NN1CC2=C(C=CC(=C2)Cl)OCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C26H24ClN3O3/c1-19-14-25(28-26(31)33-18-21-10-6-3-7-11-21)29-30(19)16-22-15-23(27)12-13-24(22)32-17-20-8-4-2-5-9-20/h2-15H,16-18H2,1H3,(H,28,29,31)

>  <InChI Key>
BICROVYPKMNVFO-UHFFFAOYSA-N

