
 4-{[4-(diphenylmethyl)piperazin-1-yl]carbonyl}-2-methylphthalazin-1(2H)-one

 59 63  0  0  0  0  0  0  0  0999 V2000
    2.7183   -3.0897   -6.6446 C   0  0  0  0  0
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    4.4551   -4.1310   -8.0230 C   0  0  0  0  0
    3.8248   -3.9542   -9.0618 O   0  0  0  0  0
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    5.7526   -4.7272   -5.6199 C   0  0  0  0  0
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    7.5418   -4.8963   -4.0750 O   0  0  0  0  0
    5.5418   -5.7842   -3.3404 N   0  0  0  0  0
    4.0894   -5.9499   -3.4584 C   0  0  0  0  0
    3.4391   -6.4290   -2.1436 C   0  0  0  0  0
    3.9503   -5.7535   -0.9278 N   0  0  0  0  0
    5.4260   -5.9663   -0.8451 C   0  0  0  0  0
    6.1413   -6.3842   -2.1509 C   0  0  0  0  0
    3.6399   -4.2873   -0.8724 C   0  0  0  0  0
    2.1953   -3.9303   -1.2450 C   0  0  0  0  0
    1.9476   -3.0412   -2.3067 C   0  0  0  0  0
    0.6425   -2.6911   -2.6558 C   0  0  0  0  0
   -0.4339   -3.2189   -1.9464 C   0  0  0  0  0
   -0.2062   -4.0958   -0.8867 C   0  0  0  0  0
    1.0987   -4.4486   -0.5367 C   0  0  0  0  0
    3.9819   -3.6570    0.4916 C   0  0  0  0  0
    3.8661   -4.3726    1.6968 C   0  0  0  0  0
    4.1699   -3.7699    2.9197 C   0  0  0  0  0
    4.5807   -2.4396    2.9593 C   0  0  0  0  0
    4.6859   -1.7095    1.7778 C   0  0  0  0  0
    4.3875   -2.3119    0.5534 C   0  0  0  0  0
    2.6506   -2.5654   -5.6871 H   0  0  0  0  0
    1.9360   -3.8519   -6.7072 H   0  0  0  0  0
    2.5839   -2.3725   -7.4594 H   0  0  0  0  0
    5.8359   -4.8291  -10.2350 H   0  0  0  0  0
    8.1098   -5.8059  -10.3317 H   0  0  0  0  0
    9.3343   -6.2989   -8.2292 H   0  0  0  0  0
    8.3047   -5.8582   -6.0542 H   0  0  0  0  0
    3.8898   -6.6608   -4.2672 H   0  0  0  0  0
    3.6444   -4.9915   -3.7263 H   0  0  0  0  0
    2.3488   -6.3594   -2.2217 H   0  0  0  0  0
    3.6292   -7.5051   -2.0278 H   0  0  0  0  0
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    7.2085   -6.1518   -2.0791 H   0  0  0  0  0
    6.0629   -7.4713   -2.2806 H   0  0  0  0  0
    4.2930   -3.7976   -1.6098 H   0  0  0  0  0
    2.7750   -2.6137   -2.8702 H   0  0  0  0  0
    0.4665   -2.0017   -3.4773 H   0  0  0  0  0
   -1.4498   -2.9429   -2.2148 H   0  0  0  0  0
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    1.2610   -5.1326    0.2931 H   0  0  0  0  0
    3.5400   -5.4106    1.6854 H   0  0  0  0  0
    4.0817   -4.3395    3.8410 H   0  0  0  0  0
    4.8127   -1.9701    3.9119 H   0  0  0  0  0
    4.9959   -0.6684    1.8086 H   0  0  0  0  0
    4.4661   -1.7218   -0.3572 H   0  0  0  0  0
  1  2  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
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  5 10  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  6 37  1  0  0  0
  7  8  2  0  0  0
  7 38  1  0  0  0
  8  9  1  0  0  0
  8 39  1  0  0  0
  9 10  2  0  0  0
  9 40  1  0  0  0
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 33 59  1  0  0  0
M  END

>  <Chemical Name>
4-{[4-(diphenylmethyl)piperazin-1-yl]carbonyl}-2-methylphthalazin-1(2H)-one

>  <PubChem CID>
2476953

>  <Formula>
C27H26N4O2

>  <Molecular Weight>
438.531000

>  <IUPAC Name>
4-(4-benzhydrylpiperazine-1-carbonyl)-2-methylphthalazin-1-one

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

>  <Isomeric SMILES>
CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C27H26N4O2/c1-29-26(32)23-15-9-8-14-22(23)24(28-29)27(33)31-18-16-30(17-19-31)25(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-15,25H,16-19H2,1H3

>  <InChI Key>
ACRPGFQTNGPPRE-UHFFFAOYSA-N

