
 2-(4-chlorophenyl)-N-(2-methoxy-5-nitrophenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide

 48 51  0  0  0  0  0  0  0  0999 V2000
   -2.2932    7.2683   -5.1852 C   0  0  0  0  0
   -1.9911    6.5263   -4.0072 O   0  0  0  0  0
   -0.6659    6.2130   -3.8008 C   0  0  0  0  0
   -0.4222    5.2194   -2.8239 C   0  0  0  0  0
    0.8898    4.8269   -2.5435 C   0  0  0  0  0
    1.9532    5.4335   -3.2253 C   0  0  0  0  0
    1.7177    6.4465   -4.1638 C   0  0  0  0  0
    0.4064    6.8359   -4.4474 C   0  0  0  0  0
    3.3312    4.9903   -2.9741 N   0  0  0  0  0
    4.2457    5.6265   -3.5168 O   0  0  0  0  0
    3.4982    3.9980   -2.2509 O   0  0  0  0  0
   -1.5584    4.6514   -2.1969 N   0  0  0  0  0
   -1.5923    3.9103   -1.0317 C   0  0  0  0  0
   -0.6065    3.6280   -0.3588 O   0  0  0  0  0
   -2.9674    3.4523   -0.5944 C   0  0  0  0  0
   -4.0185    4.2662   -0.8020 C   0  0  0  0  0
   -5.3315    3.9978   -0.4140 N   0  0  0  0  0
   -5.6163    2.8525    0.3662 C   0  0  0  0  0
   -6.7290    2.5048    0.7585 O   0  0  0  0  0
   -4.4760    1.9508    0.6868 C   0  0  0  0  0
   -4.7211    0.8108    1.4735 C   0  0  0  0  0
   -3.6985   -0.0946    1.7393 C   0  0  0  0  0
   -2.4349    0.1289    1.2074 C   0  0  0  0  0
   -2.1883    1.2659    0.4296 C   0  0  0  0  0
   -3.1980    2.2097    0.1723 C   0  0  0  0  0
   -6.4165    4.8584   -0.8508 C   0  0  0  0  0
   -7.6051    5.0006   -0.1169 C   0  0  0  0  0
   -8.6616    5.7965   -0.5803 C   0  0  0  0  0
   -8.5431    6.4729   -1.7876 C   0  0  0  0  0
   -7.3739    6.3666   -2.5307 C   0  0  0  0  0
   -6.3211    5.5684   -2.0647 C   0  0  0  0  0
   -9.8437    7.4350   -2.3686 Cl  0  0  0  0  0
   -1.8703    8.2770   -5.1438 H   0  0  0  0  0
   -3.3810    7.3711   -5.2427 H   0  0  0  0  0
   -1.9583    6.7326   -6.0796 H   0  0  0  0  0
    1.0934    4.0370   -1.8260 H   0  0  0  0  0
    2.5394    6.9361   -4.6836 H   0  0  0  0  0
    0.2594    7.6327   -5.1696 H   0  0  0  0  0
   -2.4257    4.9192   -2.6468 H   0  0  0  0  0
   -3.8739    5.2395   -1.2579 H   0  0  0  0  0
   -5.7150    0.6233    1.8764 H   0  0  0  0  0
   -3.8915   -0.9727    2.3501 H   0  0  0  0  0
   -1.6306   -0.5777    1.4015 H   0  0  0  0  0
   -1.1802    1.3940    0.0412 H   0  0  0  0  0
   -7.7383    4.5129    0.8456 H   0  0  0  0  0
   -9.5711    5.8736    0.0101 H   0  0  0  0  0
   -7.2787    6.8837   -3.4817 H   0  0  0  0  0
   -5.4526    5.4737   -2.7099 H   0  0  0  0  0
  1  2  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 12  1  0  0  0
  5  6  2  0  0  0
  5 36  1  0  0  0
  6  7  1  0  0  0
  6  9  1  0  0  0
  7  8  2  0  0  0
  7 37  1  0  0  0
  8 38  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 12 13  1  0  0  0
 12 39  1  0  0  0
 13 15  1  0  0  0
 13 14  2  0  0  0
 15 16  2  0  0  0
 15 25  1  0  0  0
 16 17  1  0  0  0
 16 40  1  0  0  0
 17 18  1  0  0  0
 17 26  1  0  0  0
 18 20  1  0  0  0
 18 19  2  0  0  0
 20 21  2  0  0  0
 20 25  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 24  1  0  0  0
 23 43  1  0  0  0
 24 25  2  0  0  0
 24 44  1  0  0  0
 26 27  2  0  0  0
 26 31  1  0  0  0
 27 28  1  0  0  0
 27 45  1  0  0  0
 28 29  2  0  0  0
 28 46  1  0  0  0
 29 30  1  0  0  0
 29 32  1  0  0  0
 30 31  2  0  0  0
 30 47  1  0  0  0
 31 48  1  0  0  0
M  CHG  2   9   1  11  -1
M  END

>  <Chemical Name>
2-(4-chlorophenyl)-N-(2-methoxy-5-nitrophenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide

>  <PubChem CID>
4569017

>  <Formula>
C23H16ClN3O5

>  <Molecular Weight>
449.847000

>  <IUPAC Name>
2-(4-chlorophenyl)-N-(2-methoxy-5-nitrophenyl)-1-oxoisoquinoline-4-carboxamide

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2=CN(C(=O)C3=CC=CC=C32)C4=CC=C(C=C4)Cl

>  <Isomeric SMILES>
COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2=CN(C(=O)C3=CC=CC=C32)C4=CC=C(C=C4)Cl

>  <InChI Std. ID>
InChI=1S/C23H16ClN3O5/c1-32-21-11-10-16(27(30)31)12-20(21)25-22(28)19-13-26(15-8-6-14(24)7-9-15)23(29)18-5-3-2-4-17(18)19/h2-13H,1H3,(H,25,28)

>  <InChI Key>
AXYJVOCPPVHMDU-UHFFFAOYSA-N

