
 CHEMBL545482

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

>  <Chemical Name>
CHEMBL545482

>  <PubChem CID>
45261088

>  <Formula>
C31H34Cl2N2O

>  <Molecular Weight>
521.526000

>  <IUPAC Name>
1-[(4-chlorophenyl)-phenylmethyl]-4-[3-(naphthalen-2-ylmethoxy)propyl]piperazine;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CN(CCN1CCCOCC2=CC3=CC=CC=C3C=C2)C(C4=CC=CC=C4)C5=CC=C(C=C5)Cl.Cl

>  <Isomeric SMILES>
C1CN(CCN1CCCOCC2=CC3=CC=CC=C3C=C2)C(C4=CC=CC=C4)C5=CC=C(C=C5)Cl.Cl

>  <InChI Std. ID>
InChI=1S/C31H33ClN2O.ClH/c32-30-15-13-28(14-16-30)31(27-8-2-1-3-9-27)34-20-18-33(19-21-34)17-6-22-35-24-25-11-12-26-7-4-5-10-29(26)23-25;/h1-5,7-16,23,31H,6,17-22,24H2;1H

>  <InChI Key>
RCIMUWUOCDVSFP-UHFFFAOYSA-N

