
 CHEMBL319474

 81 85  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL319474

>  <PubChem CID>
44337289

>  <Formula>
C33H38Cl2N4O4

>  <Molecular Weight>
625.591000

>  <IUPAC Name>
2-[(1-benzylpiperidin-4-yl)amino]-1-[2-(3,4-dichlorophenyl)-4-(3,5-dimethoxybenzoyl)piperazin-1-yl]ethanone

>  <XlogP>
5.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
COC1=CC(=CC(=C1)C(=O)N2CCN(C(C2)C3=CC(=C(C=C3)Cl)Cl)C(=O)CNC4CCN(CC4)CC5=CC=CC=C5)OC

>  <Isomeric SMILES>
COC1=CC(=CC(=C1)C(=O)N2CCN(C(C2)C3=CC(=C(C=C3)Cl)Cl)C(=O)CNC4CCN(CC4)CC5=CC=CC=C5)OC

>  <InChI Std. ID>
InChI=1S/C33H38Cl2N4O4/c1-42-27-16-25(17-28(19-27)43-2)33(41)38-14-15-39(31(22-38)24-8-9-29(34)30(35)18-24)32(40)20-36-26-10-12-37(13-11-26)21-23-6-4-3-5-7-23/h3-9,16-19,26,31,36H,10-15,20-22H2,1-2H3

>  <InChI Key>
ANCRAJKTKYCZOD-UHFFFAOYSA-N

