
 CHEMBL237877

 59 62  0  0  0  0  0  0  0  0999 V2000
    0.4812    0.7805    0.2089 C   0  0  0  0  0
    1.8861    0.6874    0.5873 N   0  0  0  0  0
    2.1910   -0.3554    1.5547 C   0  0  0  0  0
    2.7965    1.5144   -0.0651 C   0  0  0  0  0
    2.3767    2.3551   -0.8725 O   0  0  0  0  0
    4.3411    1.4455    0.2416 C   0  0  0  0  0
    4.9108    0.0478   -0.1409 C   0  0  0  0  0
    4.9103   -0.2108   -1.6515 C   0  0  0  0  0
    5.6404    0.8032   -2.4210 N   0  0  0  0  0
    5.0855    2.1316   -2.1414 C   0  0  0  0  0
    5.0714    2.4984   -0.6521 C   0  0  0  0  0
    7.1038    0.7068   -2.2526 C   0  0  0  0  0
    7.9055    1.5428   -3.2760 C   0  0  0  0  0
    9.3532    1.4738   -3.0544 N   0  0  0  0  0
   10.0784    0.5104   -3.7402 C   0  0  0  0  0
    9.5696   -0.3074   -4.5087 O   0  0  0  0  0
   11.5709    0.4629   -3.4329 C   0  0  0  0  0
   12.2223    1.5458   -2.8071 O   0  0  0  0  0
   11.4068    2.3323   -2.0455 C   0  0  0  0  0
   12.0757    3.1948   -1.1701 C   0  0  0  0  0
   11.3602    4.0740   -0.3625 C   0  0  0  0  0
    9.9729    4.0999   -0.4416 C   0  0  0  0  0
    9.3038    3.2479   -1.3269 C   0  0  0  0  0
   10.0089    2.3460   -2.1399 C   0  0  0  0  0
    4.6277    1.8895    1.7032 C   0  0  0  0  0
    3.7961    2.8371    2.3354 C   0  0  0  0  0
    4.0475    3.2746    3.6387 C   0  0  0  0  0
    5.1514    2.7961    4.3342 C   0  0  0  0  0
    6.0063    1.8856    3.7232 C   0  0  0  0  0
    5.7506    1.4401    2.4217 C   0  0  0  0  0
    0.2595    1.6722   -0.3832 H   0  0  0  0  0
   -0.1329    0.8172    1.1142 H   0  0  0  0  0
    0.2181   -0.1058   -0.3753 H   0  0  0  0  0
    1.4299   -0.3526    2.3412 H   0  0  0  0  0
    3.1597   -0.2240    2.0304 H   0  0  0  0  0
    2.1641   -1.3194    1.0380 H   0  0  0  0  0
    4.3703   -0.7683    0.3419 H   0  0  0  0  0
    5.9452   -0.0615    0.1987 H   0  0  0  0  0
    5.3311   -1.2049   -1.8497 H   0  0  0  0  0
    3.8762   -0.2612   -2.0152 H   0  0  0  0  0
    5.6185    2.9089   -2.6975 H   0  0  0  0  0
    4.0714    2.1636   -2.5546 H   0  0  0  0  0
    6.1074    2.6223   -0.3105 H   0  0  0  0  0
    4.6086    3.4884   -0.5421 H   0  0  0  0  0
    7.4080   -0.3400   -2.3876 H   0  0  0  0  0
    7.4050    0.9742   -1.2339 H   0  0  0  0  0
    7.6103    2.5954   -3.2928 H   0  0  0  0  0
    7.6814    1.1662   -4.2822 H   0  0  0  0  0
   12.0803    0.3093   -4.3916 H   0  0  0  0  0
   11.7473   -0.4324   -2.8251 H   0  0  0  0  0
   13.1619    3.1790   -1.1210 H   0  0  0  0  0
   11.8835    4.7396    0.3190 H   0  0  0  0  0
    9.4054    4.7879    0.1814 H   0  0  0  0  0
    8.2217    3.3160   -1.3512 H   0  0  0  0  0
    2.9349    3.2592    1.8190 H   0  0  0  0  0
    3.3828    3.9982    4.1038 H   0  0  0  0  0
    5.3526    3.1421    5.3444 H   0  0  0  0  0
    6.8833    1.5254    4.2555 H   0  0  0  0  0
    6.4684    0.7508    1.9885 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  4  1  0  0  0
  2  3  1  0  0  0
  3 34  1  0  0  0
  3 35  1  0  0  0
  3 36  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6 11  1  0  0  0
  6  7  1  0  0  0
  6 25  1  0  0  0
  7  8  1  0  0  0
  7 37  1  0  0  0
  7 38  1  0  0  0
  8  9  1  0  0  0
  8 39  1  0  0  0
  8 40  1  0  0  0
  9 10  1  0  0  0
  9 12  1  0  0  0
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 10 42  1  0  0  0
 11 43  1  0  0  0
 11 44  1  0  0  0
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 29 30  2  0  0  0
 29 58  1  0  0  0
 30 59  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL237877

>  <PubChem CID>
24803168

>  <Formula>
C24H29N3O3

>  <Molecular Weight>
407.514000

>  <IUPAC Name>
N,N-dimethyl-1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]-4-phenylpiperidine-4-carboxamide

>  <XlogP>
2.5

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CN(C)C(=O)C1(CCN(CC1)CCN2C(=O)COC3=CC=CC=C32)C4=CC=CC=C4

>  <Isomeric SMILES>
CN(C)C(=O)C1(CCN(CC1)CCN2C(=O)COC3=CC=CC=C32)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C24H29N3O3/c1-25(2)23(29)24(19-8-4-3-5-9-19)12-14-26(15-13-24)16-17-27-20-10-6-7-11-21(20)30-18-22(27)28/h3-11H,12-18H2,1-2H3

>  <InChI Key>
AEYWLHHXTQKUSX-UHFFFAOYSA-N

