
 L-249313

 40 43  0  0  0  0  0  0  0  0999 V2000
   -0.4616    0.5802    0.9899 C   0  0  0  0  0
    0.9758    0.5688    0.7204 N   0  0  0  0  0
    1.7106    1.7536    0.7004 C   0  0  0  0  0
    3.0164    1.8197    0.3844 C   0  0  0  0  0
    3.7133    0.5775    0.0275 C   0  0  0  0  0
    5.0194    0.4967   -0.3262 C   0  0  0  0  0
    5.6943   -0.7953   -0.7194 C   0  0  0  0  0
    4.7993   -1.9419   -0.7061 N   0  0  0  0  0
    3.4831   -1.9364   -0.3509 C   0  0  0  0  0
    3.0129   -3.1599   -0.4643 N   0  0  0  0  0
    4.0858   -3.8846   -0.9482 C   0  0  0  0  0
    5.2058   -3.1574   -1.1096 N   0  0  0  0  0
    3.9807   -5.3028   -1.2730 C   0  0  0  0  0
    2.9335   -6.0733   -0.7484 C   0  0  0  0  0
    2.8221   -7.4298   -1.0644 C   0  0  0  0  0
    3.7512   -8.0265   -1.9154 C   0  0  0  0  0
    4.7947   -7.2707   -2.4469 C   0  0  0  0  0
    4.9117   -5.9166   -2.1238 C   0  0  0  0  0
    2.9292   -0.6870    0.0181 C   0  0  0  0  0
    1.6248   -0.6154    0.3546 C   0  0  0  0  0
    5.9126    1.6802   -0.3374 C   0  0  0  0  0
    5.9398    2.5474    0.5175 O   0  0  0  0  0
    6.6949    1.6314   -1.4462 O   0  0  0  0  0
    7.5847    2.7419   -1.5844 C   0  0  0  0  0
   -0.7257    1.3744    1.6969 H   0  0  0  0  0
   -0.7915   -0.3684    1.4279 H   0  0  0  0  0
   -1.0161    0.7447    0.0600 H   0  0  0  0  0
    1.1502    2.6462    0.9636 H   0  0  0  0  0
    3.5260    2.7756    0.3904 H   0  0  0  0  0
    6.5073   -1.0283   -0.0221 H   0  0  0  0  0
    6.0935   -0.7422   -1.7384 H   0  0  0  0  0
    2.2003   -5.6178   -0.0856 H   0  0  0  0  0
    2.0090   -8.0180   -0.6473 H   0  0  0  0  0
    3.6612   -9.0804   -2.1654 H   0  0  0  0  0
    5.5174   -7.7326   -3.1145 H   0  0  0  0  0
    5.7290   -5.3370   -2.5483 H   0  0  0  0  0
    0.9865   -1.4964    0.3565 H   0  0  0  0  0
    8.1971    2.8689   -0.6862 H   0  0  0  0  0
    7.0165    3.6513   -1.8002 H   0  0  0  0  0
    8.2496    2.5373   -2.4283 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  3  1  0  0  0
  2 20  1  0  0  0
  3  4  2  0  0  0
  3 28  1  0  0  0
  4  5  1  0  0  0
  4 29  1  0  0  0
  5 19  1  0  0  0
  5  6  2  0  0  0
  6 21  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 30  1  0  0  0
  7 31  1  0  0  0
  8 12  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 19  1  0  0  0
 10 11  1  0  0  0
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 13 14  2  0  0  0
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 15 16  2  0  0  0
 15 33  1  0  0  0
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 17 35  1  0  0  0
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 21 23  1  0  0  0
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 23 24  1  0  0  0
 24 38  1  0  0  0
 24 39  1  0  0  0
 24 40  1  0  0  0
M  END

>  <Chemical Name>
L-249313

>  <PubChem CID>
4355631

>  <Formula>
C18H16N4O2

>  <Molecular Weight>
320.352000

>  <IUPAC Name>
methyl 9-methyl-2-phenyl-5H-[1,2,4]triazolo[5,1-a][2,7]naphthyridine-6-carboxylate

>  <XlogP>
1.6

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CN1C=CC2=C(CN3C(=NC(=N3)C4=CC=CC=C4)C2=C1)C(=O)OC

>  <Isomeric SMILES>
CN1C=CC2=C(CN3C(=NC(=N3)C4=CC=CC=C4)C2=C1)C(=O)OC

>  <InChI Std. ID>
InChI=1S/C18H16N4O2/c1-21-9-8-13-14(10-21)17-19-16(12-6-4-3-5-7-12)20-22(17)11-15(13)18(23)24-2/h3-10H,11H2,1-2H3

>  <InChI Key>
DBROFPXBIMMIMF-UHFFFAOYSA-N

