
 CHEMBL3589842

 61 64  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3589842

>  <PubChem CID>
122181147

>  <Formula>
C25H28F4N2O2

>  <Molecular Weight>
464.505000

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

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
C1COC2(CCN(CC2)CCCC(=O)NCC3=CC(=CC(=C3)F)C(F)(F)F)C4=CC=CC=C41

>  <Isomeric SMILES>
C1COC2(CCN(CC2)CCCC(=O)NCC3=CC(=CC(=C3)F)C(F)(F)F)C4=CC=CC=C41

>  <InChI Std. ID>
InChI=1S/C25H28F4N2O2/c26-21-15-18(14-20(16-21)25(27,28)29)17-30-23(32)6-3-10-31-11-8-24(9-12-31)22-5-2-1-4-19(22)7-13-33-24/h1-2,4-5,14-16H,3,6-13,17H2,(H,30,32)

>  <InChI Key>
VCUDHYXMFJECKX-UHFFFAOYSA-N

