
 SCHEMBL3597978

 55 58  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL3597978

>  <PubChem CID>
58993452

>  <Formula>
C22H24F3N5O

>  <Molecular Weight>
431.463000

>  <IUPAC Name>
4-[[3-(5-methyltetrazol-1-yl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC1=NN=NN1C2=CC(=CC(=C2)C(F)(F)F)COCC3(CCNCC3)C4=CC=CC=C4

>  <Isomeric SMILES>
CC1=NN=NN1C2=CC(=CC(=C2)C(F)(F)F)COCC3(CCNCC3)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C22H24F3N5O/c1-16-27-28-29-30(16)20-12-17(11-19(13-20)22(23,24)25)14-31-15-21(7-9-26-10-8-21)18-5-3-2-4-6-18/h2-6,11-13,26H,7-10,14-15H2,1H3

>  <InChI Key>
INGFJIBWWUNNQL-UHFFFAOYSA-N

