
 CHEMBL3589843

 64 67  0  0  0  0  0  0  0  0999 V2000
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  3  4  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3589843

>  <PubChem CID>
122181148

>  <Formula>
C26H30F4N2O2

>  <Molecular Weight>
478.532000

>  <IUPAC Name>
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-(3-methylspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)butanamide

>  <XlogP>
4.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1CC2=CC=CC=C2C3(O1)CCN(CC3)CCCC(=O)NCC4=CC(=CC(=C4)F)C(F)(F)F

>  <Isomeric SMILES>
CC1CC2=CC=CC=C2C3(O1)CCN(CC3)CCCC(=O)NCC4=CC(=CC(=C4)F)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C26H30F4N2O2/c1-18-13-20-5-2-3-6-23(20)25(34-18)8-11-32(12-9-25)10-4-7-24(33)31-17-19-14-21(26(28,29)30)16-22(27)15-19/h2-3,5-6,14-16,18H,4,7-13,17H2,1H3,(H,31,33)

>  <InChI Key>
UOTTVBZTWTXCKX-UHFFFAOYSA-N

