
 CHEMBL43352

 43 43  0  0  0  0  0  0  0  0999 V2000
    7.8018   -0.7163   -1.3427 C   0  0  0  0  0
    6.7968   -0.7661   -0.1953 C   0  0  0  0  0
    5.7139    0.2322   -0.2835 N   0  0  0  0  0
    4.6280   -0.0924    0.6614 C   0  0  0  0  0
    4.9734   -0.0228    2.1485 C   0  0  0  0  0
    6.2300    1.6112   -0.1499 C   0  0  0  0  0
    5.1892    2.7361   -0.3098 C   0  0  0  0  0
    5.7679    4.0446   -0.0615 N   0  0  0  0  0
    6.4421    4.7862   -1.0054 C   0  0  0  0  0
    6.6500    4.4026   -2.1468 O   0  0  0  0  0
    6.9746    6.1073   -0.5376 C   0  0  0  0  0
    8.0853    6.6206   -1.2231 C   0  0  0  0  0
    8.6924    7.7998   -0.7889 C   0  0  0  0  0
    8.1794    8.5192    0.3047 C   0  0  0  0  0
    7.0790    7.9911    0.9928 C   0  0  0  0  0
    6.4474    6.8169    0.5608 C   0  0  0  0  0
    5.3909    6.2692    1.2423 O   0  0  0  0  0
    4.3993    7.1578    1.7761 C   0  0  0  0  0
    3.0716    6.8323    1.2266 C   0  0  0  0  0
    2.0135    6.5953    0.8107 N   0  0  0  0  0
    8.8724    9.6048    0.8711 N   0  0  0  0  0
   10.1003    8.3603   -1.6232 Cl  0  0  0  0  0
    8.5910   -1.4557   -1.1685 H   0  0  0  0  0
    8.2958    0.2544   -1.4330 H   0  0  0  0  0
    7.3222   -0.9536   -2.2973 H   0  0  0  0  0
    7.3397   -0.6696    0.7521 H   0  0  0  0  0
    6.3587   -1.7728   -0.2109 H   0  0  0  0  0
    4.2601   -1.1030    0.4401 H   0  0  0  0  0
    3.7639    0.5532    0.4677 H   0  0  0  0  0
    5.7839   -0.7093    2.4114 H   0  0  0  0  0
    4.1008   -0.3099    2.7450 H   0  0  0  0  0
    5.2611    0.9878    2.4532 H   0  0  0  0  0
    6.9830    1.7931   -0.9236 H   0  0  0  0  0
    6.7495    1.7312    0.8097 H   0  0  0  0  0
    4.3821    2.6372    0.4214 H   0  0  0  0  0
    4.7542    2.7208   -1.3145 H   0  0  0  0  0
    5.6752    4.4289    0.8703 H   0  0  0  0  0
    8.4984    6.0786   -2.0724 H   0  0  0  0  0
    6.7558    8.4899    1.9017 H   0  0  0  0  0
    4.6093    8.2148    1.5893 H   0  0  0  0  0
    4.3902    7.0036    2.8611 H   0  0  0  0  0
    8.2943   10.2765    1.3650 H   0  0  0  0  0
    9.5139   10.0497    0.2153 H   0  0  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  3  1  0  0  0
  2 26  1  0  0  0
  2 27  1  0  0  0
  3  6  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4 28  1  0  0  0
  4 29  1  0  0  0
  5 30  1  0  0  0
  5 31  1  0  0  0
  5 32  1  0  0  0
  6  7  1  0  0  0
  6 33  1  0  0  0
  6 34  1  0  0  0
  7  8  1  0  0  0
  7 35  1  0  0  0
  7 36  1  0  0  0
  8  9  1  0  0  0
  8 37  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12 38  1  0  0  0
 13 14  2  0  0  0
 13 22  1  0  0  0
 14 15  1  0  0  0
 14 21  1  0  0  0
 15 16  2  0  0  0
 15 39  1  0  0  0
 16 17  1  0  0  0
 17 18  1  0  0  0
 18 19  1  0  0  0
 18 40  1  0  0  0
 18 41  1  0  0  0
 19 20  3  0  0  0
 21 42  1  0  0  0
 21 43  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL43352

>  <PubChem CID>
14116886

>  <Formula>
C15H21ClN4O2

>  <Molecular Weight>
324.809000

>  <IUPAC Name>
4-amino-5-chloro-2-(cyanomethoxy)-N-[2-(diethylamino)ethyl]benzamide

>  <XlogP>
2.400

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCN(CC)CCNC(=O)C1=CC(=C(C=C1OCC#N)N)Cl

>  <Isomeric SMILES>
CCN(CC)CCNC(=O)C1=CC(=C(C=C1OCC#N)N)Cl

>  <InChI Std. ID>
InChI=1S/C15H21ClN4O2/c1-3-20(4-2)7-6-19-15(21)11-9-12(16)13(18)10-14(11)22-8-5-17/h9-10H,3-4,6-8,18H2,1-2H3,(H,19,21)

>  <InChI Key>
ZTXYPANIEPFDPQ-UHFFFAOYSA-N

