
 CHEMBL3589949

 74 78  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3589949

>  <PubChem CID>
122181235

>  <Formula>
C32H33F5N2O2

>  <Molecular Weight>
572.620000

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

>  <XlogP>
6.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

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

>  <InChI Std. ID>
InChI=1S/C32H33F5N2O2/c1-21-16-24-4-2-3-5-29(24)31(41-21)11-14-39(15-12-31)13-10-28(23-6-8-26(33)9-7-23)30(40)38-20-22-17-25(32(35,36)37)19-27(34)18-22/h2-9,17-19,21,28H,10-16,20H2,1H3,(H,38,40)

>  <InChI Key>
OVVRQDCJYWDMFV-UHFFFAOYSA-N

