
 CHEMBL155797

 70 73  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL155797

>  <PubChem CID>
11813130

>  <Formula>
C30H34ClN3O2

>  <Molecular Weight>
504.071000

>  <IUPAC Name>
N-(4-chlorophenyl)-3-[(R)-[(2S,5R)-2,5-dimethyl-4-prop-2-enylpiperazin-1-yl]-(3-hydroxyphenyl)methyl]-N-methylbenzamide

>  <XlogP>
6.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1CN(C(CN1C(C2=CC(=CC=C2)O)C3=CC=CC(=C3)C(=O)N(C)C4=CC=C(C=C4)Cl)C)CC=C

>  <Isomeric SMILES>
C[C@H]1CN([C@@H](CN1[C@@H](C2=CC(=CC=C2)O)C3=CC=CC(=C3)C(=O)N(C)C4=CC=C(C=C4)Cl)C)CC=C

>  <InChI Std. ID>
InChI=1S/C30H34ClN3O2/c1-5-16-33-19-22(3)34(20-21(33)2)29(24-9-7-11-28(35)18-24)23-8-6-10-25(17-23)30(36)32(4)27-14-12-26(31)13-15-27/h5-15,17-18,21-22,29,35H,1,16,19-20H2,2-4H3/t21-,22+,29-/m1/s1

>  <InChI Key>
AISNYCOSKPRJCJ-UETOGOEVSA-N

