
 CHEMBL3589846

 77 81  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3589846

>  <PubChem CID>
122181151

>  <Formula>
C33H33F7N2O2

>  <Molecular Weight>
622.628000

>  <IUPAC Name>
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluorophenyl)-4-(3-methylspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)butanamide

>  <XlogP>
7.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
10

>  <Canonical SMILES>
CC1CC2=CC=CC=C2C3(O1)CCN(CC3)CCC(C4=CC=C(C=C4)F)C(=O)NCC5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F

>  <Isomeric SMILES>
CC1CC2=CC=CC=C2C3(O1)CCN(CC3)CCC(C4=CC=C(C=C4)F)C(=O)NCC5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C33H33F7N2O2/c1-21-16-24-4-2-3-5-29(24)31(44-21)11-14-42(15-12-31)13-10-28(23-6-8-27(34)9-7-23)30(43)41-20-22-17-25(32(35,36)37)19-26(18-22)33(38,39)40/h2-9,17-19,21,28H,10-16,20H2,1H3,(H,41,43)

>  <InChI Key>
WMUZVSBPEOTIEE-UHFFFAOYSA-N

