
 3,4,5-trimethoxy-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide

 50 52  0  0  0  0  0  0  0  0999 V2000
    0.7684   -0.3766    0.3031 C   0  0  0  0  0
    2.1365   -0.5361   -0.0437 O   0  0  0  0  0
    2.9292    0.5866   -0.0250 C   0  0  0  0  0
    2.4327    1.8981    0.0040 C   0  0  0  0  0
    3.3046    2.9987    0.0222 C   0  0  0  0  0
    4.6790    2.7634   -0.0366 C   0  0  0  0  0
    5.1863    1.4583   -0.0628 C   0  0  0  0  0
    4.3202    0.3579   -0.0444 C   0  0  0  0  0
    4.7022   -0.9596   -0.1208 O   0  0  0  0  0
    5.9327   -1.3169    0.4918 C   0  0  0  0  0
    6.5473    1.2946   -0.0458 O   0  0  0  0  0
    7.1317    1.6212   -1.3050 C   0  0  0  0  0
    2.7010    4.3697    0.0443 C   0  0  0  0  0
    1.5501    4.5215   -0.3755 O   0  0  0  0  0
    3.3859    5.4632    0.5420 N   0  0  0  0  0
    4.6103    5.4111    1.1202 N   0  0  0  0  0
    5.1348    6.4680    1.6806 C   0  0  0  0  0
    4.4520    7.7827    1.8632 C   0  0  0  0  0
    5.0595    8.9532    1.3910 C   0  0  0  0  0
    4.4268   10.1850    1.5616 C   0  0  0  0  0
    3.1848   10.2496    2.1930 C   0  0  0  0  0
    2.5777    9.0846    2.6655 C   0  0  0  0  0
    3.2129    7.8510    2.5098 C   0  0  0  0  0
    6.5527    6.3572    2.1714 C   0  0  0  0  0
    7.4146    5.4305    1.5919 C   0  0  0  0  0
    8.7260    5.3603    2.0504 C   0  0  0  0  0
    9.1308    6.2074    3.0742 C   0  0  0  0  0
    8.2053    7.0975    3.5961 C   0  0  0  0  0
    6.9287    7.1994    3.1648 N   0  0  0  0  0
    0.2178    0.1119   -0.5066 H   0  0  0  0  0
    0.6517    0.1662    1.2470 H   0  0  0  0  0
    0.3428   -1.3752    0.4428 H   0  0  0  0  0
    1.3633    2.0885    0.0031 H   0  0  0  0  0
    5.3767    3.5881   -0.0788 H   0  0  0  0  0
    6.7693   -1.1351   -0.1889 H   0  0  0  0  0
    5.9055   -2.3945    0.6815 H   0  0  0  0  0
    6.0787   -0.8162    1.4546 H   0  0  0  0  0
    7.4341    2.6728   -1.3098 H   0  0  0  0  0
    6.4667    1.4100   -2.1498 H   0  0  0  0  0
    8.0308    1.0077   -1.4201 H   0  0  0  0  0
    2.8844    6.3466    0.4900 H   0  0  0  0  0
    6.0295    8.9169    0.9020 H   0  0  0  0  0
    4.9051   11.0951    1.2076 H   0  0  0  0  0
    2.6932   11.2106    2.3248 H   0  0  0  0  0
    1.6127    9.1411    3.1635 H   0  0  0  0  0
    2.7442    6.9511    2.9016 H   0  0  0  0  0
    7.0851    4.7817    0.7904 H   0  0  0  0  0
    9.4209    4.6493    1.6123 H   0  0  0  0  0
   10.1447    6.1731    3.4579 H   0  0  0  0  0
    8.4769    7.7747    4.4013 H   0  0  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2  3  1  0  0  0
  3  8  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4 33  1  0  0  0
  5  6  2  0  0  0
  5 13  1  0  0  0
  6  7  1  0  0  0
  6 34  1  0  0  0
  7  8  2  0  0  0
  7 11  1  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
 10 35  1  0  0  0
 10 36  1  0  0  0
 10 37  1  0  0  0
 11 12  1  0  0  0
 12 38  1  0  0  0
 12 39  1  0  0  0
 12 40  1  0  0  0
 13 15  1  0  0  0
 13 14  2  0  0  0
 15 16  1  0  0  0
 15 41  1  0  0  0
 16 17  2  0  0  0
 17 24  1  0  0  0
 17 18  1  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 19 42  1  0  0  0
 20 21  2  0  0  0
 20 43  1  0  0  0
 21 22  1  0  0  0
 21 44  1  0  0  0
 22 23  2  0  0  0
 22 45  1  0  0  0
 23 46  1  0  0  0
 24 25  2  0  0  0
 24 29  1  0  0  0
 25 26  1  0  0  0
 25 47  1  0  0  0
 26 27  2  0  0  0
 26 48  1  0  0  0
 27 28  1  0  0  0
 27 49  1  0  0  0
 28 29  2  0  0  0
 28 50  1  0  0  0
M  END

>  <Chemical Name>
3,4,5-trimethoxy-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide

>  <PubChem CID>
2351773

>  <Formula>
C22H21N3O4

>  <Molecular Weight>
391.427000

>  <IUPAC Name>
3,4,5-trimethoxy-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
COC1=CC(=CC(=C1OC)OC)C(=O)NN=C(C2=CC=CC=C2)C3=CC=CC=N3

>  <Isomeric SMILES>
COC1=CC(=CC(=C1OC)OC)C(=O)NN=C(C2=CC=CC=C2)C3=CC=CC=N3

>  <InChI Std. ID>
InChI=1S/C22H21N3O4/c1-27-18-13-16(14-19(28-2)21(18)29-3)22(26)25-24-20(15-9-5-4-6-10-15)17-11-7-8-12-23-17/h4-14H,1-3H3,(H,25,26)

>  <InChI Key>
BMBLOFIHDPHYHB-UHFFFAOYSA-N

