
 1-(4-methylpiperazin-1-yl)-4-phenylphthalazine

 43 46  0  0  0  0  0  0  0  0999 V2000
    2.1928   -0.8831    0.4197 C   0  0  0  0  0
    2.4628   -1.3540   -0.9358 N   0  0  0  0  0
    1.9925   -0.3980   -1.9594 C   0  0  0  0  0
    2.8091    0.9117   -2.0637 C   0  0  0  0  0
    4.2639    0.6741   -2.2168 N   0  0  0  0  0
    4.7911   -0.3404   -1.2743 C   0  0  0  0  0
    3.9049   -1.6057   -1.1531 C   0  0  0  0  0
    4.6364    0.4574   -3.5659 C   0  0  0  0  0
    4.9128   -0.7934   -3.9862 N   0  0  0  0  0
    5.2514   -1.0495   -5.2864 N   0  0  0  0  0
    5.3092   -0.0492   -6.1953 C   0  0  0  0  0
    5.0134    1.2819   -5.8327 C   0  0  0  0  0
    4.9919    2.3730   -6.7442 C   0  0  0  0  0
    4.7709    3.6846   -6.3233 C   0  0  0  0  0
    4.5574    3.9472   -4.9813 C   0  0  0  0  0
    4.5246    2.8904   -4.0724 C   0  0  0  0  0
    4.7113    1.5431   -4.4736 C   0  0  0  0  0
    5.7530   -0.5011   -7.5312 C   0  0  0  0  0
    6.8057    0.1302   -8.2200 C   0  0  0  0  0
    7.2286   -0.3226   -9.4734 C   0  0  0  0  0
    6.6249   -1.4344  -10.0529 C   0  0  0  0  0
    5.6019   -2.0958   -9.3793 C   0  0  0  0  0
    5.1709   -1.6320   -8.1327 C   0  0  0  0  0
    2.5018   -1.6378    1.1517 H   0  0  0  0  0
    1.1168   -0.7343    0.5635 H   0  0  0  0  0
    2.7007    0.0544    0.6664 H   0  0  0  0  0
    0.9378   -0.1536   -1.7807 H   0  0  0  0  0
    2.0136   -0.9069   -2.9322 H   0  0  0  0  0
    2.4006    1.5190   -2.8800 H   0  0  0  0  0
    2.6636    1.5048   -1.1526 H   0  0  0  0  0
    5.8205   -0.6227   -1.5306 H   0  0  0  0  0
    4.8576    0.1372   -0.2889 H   0  0  0  0  0
    4.0002   -2.2085   -2.0640 H   0  0  0  0  0
    4.2955   -2.2425   -0.3495 H   0  0  0  0  0
    5.1462    2.2086   -7.8086 H   0  0  0  0  0
    4.7772    4.4972   -7.0462 H   0  0  0  0  0
    4.4082    4.9671   -4.6370 H   0  0  0  0  0
    4.3580    3.1233   -3.0222 H   0  0  0  0  0
    7.3230    0.9776   -7.7744 H   0  0  0  0  0
    8.0396    0.1865   -9.9889 H   0  0  0  0  0
    6.9627   -1.7962  -11.0208 H   0  0  0  0  0
    5.1432   -2.9783   -9.8166 H   0  0  0  0  0
    4.3792   -2.1730   -7.6163 H   0  0  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2  7  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 27  1  0  0  0
  3 28  1  0  0  0
  4  5  1  0  0  0
  4 29  1  0  0  0
  4 30  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6  7  1  0  0  0
  6 31  1  0  0  0
  6 32  1  0  0  0
  7 33  1  0  0  0
  7 34  1  0  0  0
  8  9  2  0  0  0
  8 17  1  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 11 18  1  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 13 35  1  0  0  0
 14 15  2  0  0  0
 14 36  1  0  0  0
 15 16  1  0  0  0
 15 37  1  0  0  0
 16 17  2  0  0  0
 16 38  1  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 19 39  1  0  0  0
 20 21  2  0  0  0
 20 40  1  0  0  0
 21 22  1  0  0  0
 21 41  1  0  0  0
 22 23  2  0  0  0
 22 42  1  0  0  0
 23 43  1  0  0  0
M  END

>  <Chemical Name>
1-(4-methylpiperazin-1-yl)-4-phenylphthalazine

>  <PubChem CID>
6401141

>  <Formula>
C19H20N4

>  <Molecular Weight>
304.397000

>  <IUPAC Name>
1-(4-methylpiperazin-1-yl)-4-phenylphthalazine

>  <XlogP>
3.000

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CN1CCN(CC1)C2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4

>  <Isomeric SMILES>
CN1CCN(CC1)C2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C19H20N4/c1-22-11-13-23(14-12-22)19-17-10-6-5-9-16(17)18(20-21-19)15-7-3-2-4-8-15/h2-10H,11-14H2,1H3

>  <InChI Key>
ACBUSPOAUFLRNN-UHFFFAOYSA-N

