
 2-methoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide

 50 52  0  0  0  0  0  0  0  0999 V2000
    2.2528   -6.4318   -4.0749 C   0  0  0  0  0
    3.1031   -5.2929   -4.1636 O   0  0  0  0  0
    2.9620   -4.5095   -5.2815 C   0  0  0  0  0
    2.5835   -5.0456   -6.5220 C   0  0  0  0  0
    2.4705   -4.2283   -7.6488 C   0  0  0  0  0
    2.7472   -2.8694   -7.5537 C   0  0  0  0  0
    3.1409   -2.3277   -6.3302 C   0  0  0  0  0
    3.2583   -3.1346   -5.1830 C   0  0  0  0  0
    3.6569   -2.4352   -3.9159 C   0  0  0  0  0
    3.7963   -1.2145   -3.8967 O   0  0  0  0  0
    3.8501   -3.2066   -2.7977 N   0  0  0  0  0
    4.2526   -2.6485   -1.5264 C   0  0  0  0  0
    4.2810   -3.7149   -0.4158 C   0  0  0  0  0
    5.1011   -4.9047   -0.7369 N   0  0  0  0  0
    6.5401   -4.5890   -0.8697 C   0  0  0  0  0
    7.2450   -4.1370    0.4315 C   0  0  0  0  0
    7.0221   -5.0860    1.5512 N   0  0  0  0  0
    5.6256   -5.5636    1.6814 C   0  0  0  0  0
    4.9876   -5.9331    0.3211 C   0  0  0  0  0
    7.7223   -4.8012    2.7438 C   0  0  0  0  0
    9.0436   -4.3161    2.7205 C   0  0  0  0  0
    9.7599   -4.0325    3.8917 C   0  0  0  0  0
    9.1795   -4.2468    5.1337 C   0  0  0  0  0
    7.8892   -4.7536    5.1989 C   0  0  0  0  0
    7.1792   -5.0310    4.0219 C   0  0  0  0  0
    2.2601   -6.7696   -3.0342 H   0  0  0  0  0
    2.6360   -7.2487   -4.6931 H   0  0  0  0  0
    1.2185   -6.1869   -4.3388 H   0  0  0  0  0
    2.3847   -6.1060   -6.6427 H   0  0  0  0  0
    2.1723   -4.6563   -8.6029 H   0  0  0  0  0
    2.6614   -2.2297   -8.4285 H   0  0  0  0  0
    3.3554   -1.2616   -6.2712 H   0  0  0  0  0
    3.8649   -4.2195   -2.8952 H   0  0  0  0  0
    3.5413   -1.8574   -1.2624 H   0  0  0  0  0
    5.2300   -2.1715   -1.6545 H   0  0  0  0  0
    3.2464   -4.0523   -0.2689 H   0  0  0  0  0
    4.5909   -3.2367    0.5194 H   0  0  0  0  0
    6.7021   -3.8409   -1.6531 H   0  0  0  0  0
    7.0468   -5.4919   -1.2382 H   0  0  0  0  0
    8.3073   -4.0574    0.1818 H   0  0  0  0  0
    6.8946   -3.1381    0.7197 H   0  0  0  0  0
    5.5984   -6.4707    2.2977 H   0  0  0  0  0
    5.0118   -4.7971    2.1706 H   0  0  0  0  0
    5.4656   -6.8509   -0.0480 H   0  0  0  0  0
    3.9336   -6.1970    0.4730 H   0  0  0  0  0
    9.5685   -4.1684    1.7824 H   0  0  0  0  0
   10.7766   -3.6549    3.8235 H   0  0  0  0  0
    9.7327   -4.0324    6.0434 H   0  0  0  0  0
    7.4264   -4.9396    6.1645 H   0  0  0  0  0
    6.1766   -5.4260    4.1474 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 29  1  0  0  0
  5  6  2  0  0  0
  5 30  1  0  0  0
  6  7  1  0  0  0
  6 31  1  0  0  0
  7  8  2  0  0  0
  7 32  1  0  0  0
  8  9  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 12  1  0  0  0
 11 33  1  0  0  0
 12 13  1  0  0  0
 12 34  1  0  0  0
 12 35  1  0  0  0
 13 14  1  0  0  0
 13 36  1  0  0  0
 13 37  1  0  0  0
 14 19  1  0  0  0
 14 15  1  0  0  0
 15 16  1  0  0  0
 15 38  1  0  0  0
 15 39  1  0  0  0
 16 17  1  0  0  0
 16 40  1  0  0  0
 16 41  1  0  0  0
 17 18  1  0  0  0
 17 20  1  0  0  0
 18 19  1  0  0  0
 18 42  1  0  0  0
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 19 44  1  0  0  0
 19 45  1  0  0  0
 20 21  2  0  0  0
 20 25  1  0  0  0
 21 22  1  0  0  0
 21 46  1  0  0  0
 22 23  2  0  0  0
 22 47  1  0  0  0
 23 24  1  0  0  0
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M  END

>  <Chemical Name>
2-methoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide

>  <PubChem CID>
747202

>  <Formula>
C20H25N3O2

>  <Molecular Weight>
339.439000

>  <IUPAC Name>
2-methoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide

>  <XlogP>
2.600

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
COC1=CC=CC=C1C(=O)NCCN2CCN(CC2)C3=CC=CC=C3

>  <Isomeric SMILES>
COC1=CC=CC=C1C(=O)NCCN2CCN(CC2)C3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C20H25N3O2/c1-25-19-10-6-5-9-18(19)20(24)21-11-12-22-13-15-23(16-14-22)17-7-3-2-4-8-17/h2-10H,11-16H2,1H3,(H,21,24)

>  <InChI Key>
GCTHHCZLCQZWOP-UHFFFAOYSA-N

