
 CHEMBL544088

 67 70  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL544088

>  <PubChem CID>
45261132

>  <Formula>
C30H32Cl2N2O

>  <Molecular Weight>
507.499000

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

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CN(CCN1CCOCC2=CC3=CC=CC=C3C=C2)C(C4=CC=CC=C4)C5=CC=C(C=C5)Cl.Cl

>  <Isomeric SMILES>
C1CN(CCN1CCOCC2=CC3=CC=CC=C3C=C2)C(C4=CC=CC=C4)C5=CC=C(C=C5)Cl.Cl

>  <InChI Std. ID>
InChI=1S/C30H31ClN2O.ClH/c31-29-14-12-27(13-15-29)30(26-7-2-1-3-8-26)33-18-16-32(17-19-33)20-21-34-23-24-10-11-25-6-4-5-9-28(25)22-24;/h1-15,22,30H,16-21,23H2;1H

>  <InChI Key>
QKUAWYBGZHPTRC-UHFFFAOYSA-N

