
 CHEMBL144011

 90 93  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL144011

>  <PubChem CID>
44363984

>  <Formula>
C35H41Cl2F6N3O3

>  <Molecular Weight>
736.621000

>  <IUPAC Name>
1-[[1-[(4Z)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-(3,4-dichlorophenyl)-4-methoxyiminopentyl]piperidin-4-yl]methyl]-3-prop-2-enylpiperidin-2-one

>  <XlogP>
8.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
11

>  <Canonical SMILES>
CON=C(COCC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C(CCN2CCC(CC2)CN3CCCC(C3=O)CC=C)C4=CC(=C(C=C4)Cl)Cl

>  <Isomeric SMILES>
CO/N=C(\COCC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)/C(CCN2CCC(CC2)CN3CCCC(C3=O)CC=C)C4=CC(=C(C=C4)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C35H41Cl2F6N3O3/c1-3-5-25-6-4-12-46(33(25)47)20-23-9-13-45(14-10-23)15-11-29(26-7-8-30(36)31(37)18-26)32(44-48-2)22-49-21-24-16-27(34(38,39)40)19-28(17-24)35(41,42)43/h3,7-8,16-19,23,25,29H,1,4-6,9-15,20-22H2,2H3/b44-32+

>  <InChI Key>
BCZOCLLNEUBFJV-CMXZEOLJSA-N

