
 CHEMBL544783

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

>  <Chemical Name>
CHEMBL544783

>  <PubChem CID>
45261075

>  <Formula>
C30H32Cl2N2O

>  <Molecular Weight>
507.499000

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

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CN(CCN1CCOCC2=CC=CC3=CC=CC=C32)C(C4=CC=CC=C4)C5=CC=C(C=C5)Cl.Cl

>  <Isomeric SMILES>
C1CN(CCN1CCOCC2=CC=CC3=CC=CC=C32)C(C4=CC=CC=C4)C5=CC=C(C=C5)Cl.Cl

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

>  <InChI Key>
SHEVPFDGASXIOQ-UHFFFAOYSA-N

