
 CHEMBL3353491

 52 55  0  0  0  0  0  0  0  0999 V2000
    2.8867    1.6444    1.5551 C   0  0  0  0  0
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    3.2977    0.2054   -0.5724 C   0  0  0  0  0
    3.6160    1.2459   -1.1820 O   0  0  0  0  0
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   -1.9784    0.2783   -5.7490 Cl  0  0  0  0  0
    1.9511    2.0182    1.1288 H   0  0  0  0  0
    3.6647    2.3670    1.2863 H   0  0  0  0  0
    2.7904    1.6563    2.6466 H   0  0  0  0  0
    5.0817    0.4982    2.3072 H   0  0  0  0  0
    5.3195   -0.6130    0.9500 H   0  0  0  0  0
    4.0602   -2.3370    2.1056 H   0  0  0  0  0
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    3.4001   -3.0017   -1.2769 H   0  0  0  0  0
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    3.6187   -1.7696   -3.1721 H   0  0  0  0  0
    3.8723   -0.0492   -3.0724 H   0  0  0  0  0
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    1.6710    1.4581   -2.7928 H   0  0  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2  5  1  0  0  0
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  3  4  1  0  0  0
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  4 35  1  0  0  0
  4 36  1  0  0  0
  5  6  1  0  0  0
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  8 17  1  0  0  0
  9 10  1  0  0  0
  9 37  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3353491

>  <PubChem CID>
118719611

>  <Formula>
C24H23ClN2O2

>  <Molecular Weight>
406.910000

>  <IUPAC Name>
N-[(4-chlorophenyl)methyl]-N,2-dimethyl-1-(naphthalene-1-carbonyl)azetidine-2-carboxamide

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC1(CCN1C(=O)C2=CC=CC3=CC=CC=C32)C(=O)N(C)CC4=CC=C(C=C4)Cl

>  <Isomeric SMILES>
CC1(CCN1C(=O)C2=CC=CC3=CC=CC=C32)C(=O)N(C)CC4=CC=C(C=C4)Cl

>  <InChI Std. ID>
InChI=1S/C24H23ClN2O2/c1-24(23(29)26(2)16-17-10-12-19(25)13-11-17)14-15-27(24)22(28)21-9-5-7-18-6-3-4-8-20(18)21/h3-13H,14-16H2,1-2H3

>  <InChI Key>
LRBPWIBVBMUYDE-UHFFFAOYSA-N

