
 CHEMBL543637

 66 68  0  0  0  0  0  0  0  0999 V2000
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   12.8472    6.3707    1.0403 C   0  0  0  0  0
   -0.8421    0.0857   -2.7319 Cl  0  0  0  0  0
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    5.1371    1.3330    1.7552 H   0  0  0  0  0
    4.5448    3.5300   -0.3616 H   0  0  0  0  0
    4.2720    3.6266    2.7191 H   0  0  0  0  0
    2.9644    3.5953    1.4972 H   0  0  0  0  0
    2.0561    5.6404    0.7859 H   0  0  0  0  0
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    4.1970    9.3225    1.2967 H   0  0  0  0  0
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    7.9523    5.9499    0.3201 H   0  0  0  0  0
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   -1.6000    1.0626   -2.1287 H   0  0  0  0  0
  1  2  1  0  0  0
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  5  6  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL543637

>  <PubChem CID>
45261534

>  <Formula>
C29H33ClN2O

>  <Molecular Weight>
461.046000

>  <IUPAC Name>
2-N-[(4-methoxyphenyl)methyl]-1-N-(1-naphthalen-1-ylethyl)-3-phenylpropane-1,2-diamine;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(C1=CC=CC2=CC=CC=C21)NCC(CC3=CC=CC=C3)NCC4=CC=C(C=C4)OC.Cl

>  <Isomeric SMILES>
CC(C1=CC=CC2=CC=CC=C21)NCC(CC3=CC=CC=C3)NCC4=CC=C(C=C4)OC.Cl

>  <InChI Std. ID>
InChI=1S/C29H32N2O.ClH/c1-22(28-14-8-12-25-11-6-7-13-29(25)28)30-21-26(19-23-9-4-3-5-10-23)31-20-24-15-17-27(32-2)18-16-24;/h3-18,22,26,30-31H,19-21H2,1-2H3;1H

>  <InChI Key>
GXJFQCPLSRGINC-UHFFFAOYSA-N

