
 CHEMBL3663396

 56 60  0  0  0  0  0  0  0  0999 V2000
    3.7703    0.1913    1.6886 C   0  0  0  0  0
    4.8491    1.2440    1.8706 C   0  0  0  0  0
    4.3884    2.4605    1.2881 O   0  0  0  0  0
    4.9388    3.6513    1.6824 C   0  0  0  0  0
    4.5177    4.8195    1.0090 C   0  0  0  0  0
    5.0130    6.1108    1.3790 C   0  0  0  0  0
    4.6498    7.3345    0.7600 C   0  0  0  0  0
    5.1702    8.5633    1.1819 C   0  0  0  0  0
    6.0655    8.6125    2.2400 C   0  0  0  0  0
    6.4450    7.4313    2.8705 C   0  0  0  0  0
    5.9361    6.1900    2.4526 C   0  0  0  0  0
    6.3551    5.0227    3.0946 C   0  0  0  0  0
    5.8726    3.7709    2.7117 C   0  0  0  0  0
    3.6214    4.6911   -0.1809 C   0  0  0  0  0
    3.9924    5.1520   -1.2592 O   0  0  0  0  0
    2.4085    4.0474   -0.0380 N   0  0  0  0  0
    1.5750    3.9533    1.1411 C   0  0  0  0  0
    0.6402    5.1598    0.9236 C   0  0  0  0  0
    0.5283    5.2266   -0.6198 C   0  0  0  0  0
    1.3889    4.0283   -1.0655 C   0  0  0  0  0
    0.6207    2.7360   -0.7137 C   0  0  0  0  0
    0.7926    2.6651    0.8310 C   0  0  0  0  0
    1.1849    1.5083   -1.4345 C   0  0  0  0  0
    0.4028    0.3692   -1.0511 O   0  0  0  0  0
    0.6874   -0.7704   -1.7792 C   0  0  0  0  0
   -0.0434   -1.9038   -1.4557 C   0  0  0  0  0
    0.1881   -3.0713   -2.1777 C   0  0  0  0  0
    1.1372   -3.0632   -3.1934 C   0  0  0  0  0
    1.8199   -1.8836   -3.4410 C   0  0  0  0  0
    1.6192   -0.7360   -2.7557 N   0  0  0  0  0
    4.1147   -0.7844    2.0418 H   0  0  0  0  0
    3.4662    0.1092    0.6413 H   0  0  0  0  0
    2.8800    0.4671    2.2641 H   0  0  0  0  0
    5.7688    0.9342    1.3634 H   0  0  0  0  0
    5.0271    1.3319    2.9458 H   0  0  0  0  0
    3.9562    7.3430   -0.0782 H   0  0  0  0  0
    4.8754    9.4782    0.6745 H   0  0  0  0  0
    6.4737    9.5647    2.5705 H   0  0  0  0  0
    7.1530    7.4860    3.6955 H   0  0  0  0  0
    7.0770    5.0730    3.9083 H   0  0  0  0  0
    6.2613    2.9128    3.2476 H   0  0  0  0  0
    2.0941    3.9620    2.1002 H   0  0  0  0  0
   -0.3335    5.0354    1.4074 H   0  0  0  0  0
    1.0977    6.0826    1.2978 H   0  0  0  0  0
    0.9564    6.1694   -0.9793 H   0  0  0  0  0
   -0.5071    5.1645   -0.9686 H   0  0  0  0  0
    1.7605    4.0991   -2.0903 H   0  0  0  0  0
   -0.4455    2.8191   -0.9610 H   0  0  0  0  0
    1.3747    1.7855    1.1190 H   0  0  0  0  0
   -0.1689    2.6221    1.3524 H   0  0  0  0  0
    2.2363    1.3440   -1.1692 H   0  0  0  0  0
    1.1033    1.6787   -2.5165 H   0  0  0  0  0
   -0.7807   -1.8749   -0.6620 H   0  0  0  0  0
   -0.3693   -3.9756   -1.9525 H   0  0  0  0  0
    1.3392   -3.9529   -3.7794 H   0  0  0  0  0
    2.5693   -1.8258   -4.2259 H   0  0  0  0  0
  1  2  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  2  3  1  0  0  0
  2 34  1  0  0  0
  2 35  1  0  0  0
  3  4  1  0  0  0
  4 13  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5 14  1  0  0  0
  6 11  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  7 36  1  0  0  0
  8  9  2  0  0  0
  8 37  1  0  0  0
  9 10  1  0  0  0
  9 38  1  0  0  0
 10 11  2  0  0  0
 10 39  1  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 12 40  1  0  0  0
 13 41  1  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
 16 20  1  0  0  0
 16 17  1  0  0  0
 17 18  1  0  0  0
 17 22  1  0  0  0
 17 42  1  0  0  0
 18 19  1  0  0  0
 18 43  1  0  0  0
 18 44  1  0  0  0
 19 20  1  0  0  0
 19 45  1  0  0  0
 19 46  1  0  0  0
 20 21  1  0  0  0
 20 47  1  0  0  0
 21 22  1  0  0  0
 21 23  1  0  0  0
 21 48  1  0  0  0
 22 49  1  0  0  0
 22 50  1  0  0  0
 23 24  1  0  0  0
 23 51  1  0  0  0
 23 52  1  0  0  0
 24 25  1  0  0  0
 25 26  2  0  0  0
 25 30  1  0  0  0
 26 27  1  0  0  0
 26 53  1  0  0  0
 27 28  2  0  0  0
 27 54  1  0  0  0
 28 29  1  0  0  0
 28 55  1  0  0  0
 29 30  2  0  0  0
 29 56  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3663396

>  <PubChem CID>
90411901

>  <Formula>
C25H26N2O3

>  <Molecular Weight>
402.494000

>  <IUPAC Name>
(2-ethoxynaphthalen-1-yl)-[3-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone

>  <XlogP>
4.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCOC1=C(C2=CC=CC=C2C=C1)C(=O)N3C4CCC3C(C4)COC5=CC=CC=N5

>  <Isomeric SMILES>
CCOC1=C(C2=CC=CC=C2C=C1)C(=O)N3C4CCC3C(C4)COC5=CC=CC=N5

>  <InChI Std. ID>
InChI=1S/C25H26N2O3/c1-2-29-22-13-10-17-7-3-4-8-20(17)24(22)25(28)27-19-11-12-21(27)18(15-19)16-30-23-9-5-6-14-26-23/h3-10,13-14,18-19,21H,2,11-12,15-16H2,1H3

>  <InChI Key>
ABBMJPROVMDPMT-UHFFFAOYSA-N

