
 CHEMBL3262876

 53 56  0  0  0  0  0  0  0  0999 V2000
    1.5270    0.8678   -1.7595 C   0  0  0  0  0
    0.0357    0.6401   -2.0355 C   0  0  0  0  0
   -0.3356   -0.7798   -2.1111 N   0  0  0  0  0
    0.2379   -1.6503   -1.0674 C   0  0  0  0  0
    1.7386   -1.3844   -0.8464 C   0  0  0  0  0
    1.9833    0.0449   -0.6389 N   0  0  0  0  0
    2.2898    0.4924    0.6371 C   0  0  0  0  0
    2.5157   -0.2998    1.5584 O   0  0  0  0  0
    2.3337    1.9908    0.9123 C   0  0  0  0  0
    1.0004    2.5286    1.3769 C   0  0  0  0  0
    0.4671    2.1111    2.6059 C   0  0  0  0  0
   -0.7760    2.5750    3.0369 C   0  0  0  0  0
   -1.5009    3.4609    2.2439 C   0  0  0  0  0
   -0.9777    3.8921    1.0261 C   0  0  0  0  0
    0.2700    3.4345    0.5969 C   0  0  0  0  0
   -1.5203   -1.0651   -2.7836 C   0  0  0  0  0
   -2.0335   -0.2487   -3.5555 O   0  0  0  0  0
   -2.1836   -2.4311   -2.5910 C   0  0  0  0  0
   -2.6131   -2.5838   -1.2433 O   0  0  0  0  0
   -3.7165   -3.3534   -0.9935 C   0  0  0  0  0
   -4.4332   -4.1035   -1.9276 C   0  0  0  0  0
   -5.5874   -4.8186   -1.5503 C   0  0  0  0  0
   -6.3390   -5.5412   -2.4922 C   0  0  0  0  0
   -7.4837   -6.2416   -2.1096 C   0  0  0  0  0
   -7.8903   -6.2345   -0.7792 C   0  0  0  0  0
   -7.1565   -5.5212    0.1704 C   0  0  0  0  0
   -6.0075   -4.8061   -0.2015 C   0  0  0  0  0
   -5.2636   -4.0704    0.7344 C   0  0  0  0  0
   -4.1349   -3.3504    0.3376 C   0  0  0  0  0
    2.1140    0.5638   -2.6349 H   0  0  0  0  0
    1.7156    1.9290   -1.6024 H   0  0  0  0  0
   -0.2391    1.1574   -2.9618 H   0  0  0  0  0
   -0.5673    1.0730   -1.2278 H   0  0  0  0  0
   -0.3200   -1.4527   -0.1446 H   0  0  0  0  0
    0.0952   -2.7008   -1.3345 H   0  0  0  0  0
    2.1045   -1.9840   -0.0080 H   0  0  0  0  0
    2.3065   -1.6821   -1.7365 H   0  0  0  0  0
    2.7234    2.5431    0.0533 H   0  0  0  0  0
    3.0754    2.1617    1.7051 H   0  0  0  0  0
    1.0182    1.4117    3.2337 H   0  0  0  0  0
   -1.1787    2.2401    3.9891 H   0  0  0  0  0
   -2.4727    3.8166    2.5761 H   0  0  0  0  0
   -1.5445    4.5855    0.4101 H   0  0  0  0  0
    0.6601    3.7911   -0.3531 H   0  0  0  0  0
   -1.4822   -3.2283   -2.8569 H   0  0  0  0  0
   -3.0185   -2.4455   -3.2999 H   0  0  0  0  0
   -4.1279   -4.1504   -2.9673 H   0  0  0  0  0
   -6.0415   -5.5562   -3.5387 H   0  0  0  0  0
   -8.0577   -6.7905   -2.8518 H   0  0  0  0  0
   -8.7809   -6.7809   -0.4793 H   0  0  0  0  0
   -7.4923   -5.5244    1.2049 H   0  0  0  0  0
   -5.5644   -4.0430    1.7773 H   0  0  0  0  0
   -3.5832   -2.7734    1.0752 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2  3  1  0  0  0
  2 32  1  0  0  0
  2 33  1  0  0  0
  3  4  1  0  0  0
  3 16  1  0  0  0
  4  5  1  0  0  0
  4 34  1  0  0  0
  4 35  1  0  0  0
  5  6  1  0  0  0
  5 36  1  0  0  0
  5 37  1  0  0  0
  6  7  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 10  1  0  0  0
  9 38  1  0  0  0
  9 39  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 11 40  1  0  0  0
 12 13  2  0  0  0
 12 41  1  0  0  0
 13 14  1  0  0  0
 13 42  1  0  0  0
 14 15  2  0  0  0
 14 43  1  0  0  0
 15 44  1  0  0  0
 16 18  1  0  0  0
 16 17  2  0  0  0
 18 19  1  0  0  0
 18 45  1  0  0  0
 18 46  1  0  0  0
 19 20  1  0  0  0
 20 29  1  0  0  0
 20 21  2  0  0  0
 21 22  1  0  0  0
 21 47  1  0  0  0
 22 27  1  0  0  0
 22 23  2  0  0  0
 23 24  1  0  0  0
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 24 25  2  0  0  0
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 26 27  2  0  0  0
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 29 53  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3262876

>  <PubChem CID>
1072081

>  <Formula>
C24H24N2O3

>  <Molecular Weight>
388.467000

>  <IUPAC Name>
1-[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-yl]-2-phenylethanone

>  <XlogP>
3.500

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CN(CCN1C(=O)CC2=CC=CC=C2)C(=O)COC3=CC4=CC=CC=C4C=C3

>  <Isomeric SMILES>
C1CN(CCN1C(=O)CC2=CC=CC=C2)C(=O)COC3=CC4=CC=CC=C4C=C3

>  <InChI Std. ID>
InChI=1S/C24H24N2O3/c27-23(16-19-6-2-1-3-7-19)25-12-14-26(15-13-25)24(28)18-29-22-11-10-20-8-4-5-9-21(20)17-22/h1-11,17H,12-16,18H2

>  <InChI Key>
BPTCJGVNSUEYAM-UHFFFAOYSA-N

