
 CHEMBL491143

 74 77  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL491143

>  <PubChem CID>
44565061

>  <Formula>
C31H38ClN3O

>  <Molecular Weight>
504.115000

>  <IUPAC Name>
1-[4-(2,6-dimethylphenyl)piperazin-1-yl]-3-[2-(9H-fluoren-9-yl)ethyl-methylamino]propan-1-one;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=C(C(=CC=C1)C)N2CCN(CC2)C(=O)CCN(C)CCC3C4=CC=CC=C4C5=CC=CC=C35.Cl

>  <Isomeric SMILES>
CC1=C(C(=CC=C1)C)N2CCN(CC2)C(=O)CCN(C)CCC3C4=CC=CC=C4C5=CC=CC=C35.Cl

>  <InChI Std. ID>
InChI=1S/C31H37N3O.ClH/c1-23-9-8-10-24(2)31(23)34-21-19-33(20-22-34)30(35)16-18-32(3)17-15-29-27-13-6-4-11-25(27)26-12-5-7-14-28(26)29;/h4-14,29H,15-22H2,1-3H3;1H

>  <InChI Key>
HPERWXIBXUSBPL-UHFFFAOYSA-N

