
 CHEMBL41068

 94 97  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL41068

>  <PubChem CID>
44314577

>  <Formula>
C35H42Cl2F6N4O5

>  <Molecular Weight>
783.634000

>  <IUPAC Name>
ethyl 1-[2-[4-[(4Z)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-(3,4-dichlorophenyl)-4-methoxyiminopentyl]piperazin-1-yl]acetyl]piperidine-4-carboxylate

>  <XlogP>
7.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
14

>  <Canonical SMILES>
CCOC(=O)C1CCN(CC1)C(=O)CN2CCN(CC2)CCC(C3=CC(=C(C=C3)Cl)Cl)C(=NOC)COCC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

>  <Isomeric SMILES>
CCOC(=O)C1CCN(CC1)C(=O)CN2CCN(CC2)CCC(C3=CC(=C(C=C3)Cl)Cl)/C(=N/OC)/COCC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C35H42Cl2F6N4O5/c1-3-52-33(49)24-6-10-47(11-7-24)32(48)20-46-14-12-45(13-15-46)9-8-28(25-4-5-29(36)30(37)18-25)31(44-50-2)22-51-21-23-16-26(34(38,39)40)19-27(17-23)35(41,42)43/h4-5,16-19,24,28H,3,6-15,20-22H2,1-2H3/b44-31+

>  <InChI Key>
ARGUIKFIPCGABR-HOGWAELTSA-N

