66774402
  -OEChem-04252422402D

 57 61  0     1  0  0  0  0  0999 V2000
    2.0000    1.3327    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.6636   -1.2702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5754    1.6237    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1279    0.3327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3865   -1.0921    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1820   -2.4430    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    5.5443   -0.4721    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1312   -0.6418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1504   -0.4469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5903   -1.5302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4147   -2.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2138   -2.6929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4736   -0.6838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8273   -3.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3708    0.3109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4580    0.7192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1809    0.8973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3552    1.7139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4423    2.1222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1652    2.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0781    1.8920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.8327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443    1.1374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.1673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8335    2.2941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550    2.0879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2361    3.1007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279    0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2418    3.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.6673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.8327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.1673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7316   -0.4869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1138   -0.0221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4036    0.1191    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6550   -0.0741    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0858   -1.9029    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0640   -1.1301    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8066   -1.9709    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1615   -2.6577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7401   -3.0930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4984   -3.2437    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3537   -3.6070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2274   -3.6806    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3009   -2.8069    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9558    0.3556    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7468    0.6441    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1015    2.9170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5803    2.2555    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4409    2.5494    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6518    3.5608    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7369   -1.0614    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9327    3.7444    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.9527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.2873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.4773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 32  1  0  0  0  0
  2 13  2  0  0  0  0
  3 19  1  0  0  0  0
  3 25  1  0  0  0  0
  4 28  2  0  0  0  0
  5  9  1  0  0  0  0
  5 11  1  0  0  0  0
  5 13  1  0  0  0  0
  6 10  1  0  0  0  0
  6 12  1  0  0  0  0
  6 14  1  0  0  0  0
  7 24  1  0  0  0  0
  7 28  1  0  0  0  0
  7 53  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 34  1  0  0  0  0
  8 35  1  0  0  0  0
  9 36  1  0  0  0  0
  9 37  1  0  0  0  0
 10 38  1  0  0  0  0
 10 39  1  0  0  0  0
 11 12  1  0  0  0  0
 11 40  1  0  0  0  0
 11 41  1  0  0  0  0
 12 42  1  0  0  0  0
 12 43  1  0  0  0  0
 13 15  1  0  0  0  0
 14 44  1  0  0  0  0
 14 45  1  0  0  0  0
 14 46  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 16 47  1  0  0  0  0
 17 21  1  0  0  0  0
 17 48  1  0  0  0  0
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 18 20  1  0  0  0  0
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 20 21  2  0  0  0  0
 20 49  1  0  0  0  0
 21 50  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 22 30  1  0  0  0  0
 23 26  2  3  0  0  0
 23 28  1  0  0  0  0
 24 31  1  0  0  0  0
 25 26  1  0  0  0  0
 25 29  2  0  0  0  0
 26 51  1  0  0  0  0
 27 29  1  0  0  0  0
 27 52  1  0  0  0  0
 29 54  1  0  0  0  0
 30 32  2  0  0  0  0
 30 55  1  0  0  0  0
 31 33  2  0  0  0  0
 31 56  1  0  0  0  0
 32 33  1  0  0  0  0
 33 57  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
66774402

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
774

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAEAAAAAAAAAAAAAAAAAWJAAAAwYAAABYAAAFgB0AAAHgIQAAAADA7BmCQyxIPABECIAqVSUACCCAAlJwAIiAEObsgMZjLF95uWOSjk1hHI6Yec3/LuAABCIAACAAAAAIRAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-chloro-3-[[5-[3-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]-2-furyl]methylene]indolin-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
5-chloro-3-[[5-[3-[(4-methyl-1,4-diazepan-1-yl)-oxomethyl]phenyl]-2-furanyl]methylidene]-1H-indol-2-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
5-chloro-3-[[5-[3-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]furan-2-yl]methylidene]-1<I>H</I>-indol-2-one

> <PUBCHEM_IUPAC_NAME>
5-chloro-3-[[5-[3-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]furan-2-yl]methylidene]-1H-indol-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-chloranyl-3-[[5-[3-[(4-methyl-1,4-diazepan-1-yl)carbonyl]phenyl]furan-2-yl]methylidene]-1H-indol-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5-chloro-3-[[5-[3-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]-2-furyl]methylene]oxindole

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C26H24ClN3O3/c1-29-10-3-11-30(13-12-29)26(32)18-5-2-4-17(14-18)24-9-7-20(33-24)16-22-21-15-19(27)6-8-23(21)28-25(22)31/h2,4-9,14-16H,3,10-13H2,1H3,(H,28,31)

> <PUBCHEM_IUPAC_INCHIKEY>
KGBPLKOPSFDBOX-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.9

> <PUBCHEM_EXACT_MASS>
461.1506193

> <PUBCHEM_MOLECULAR_FORMULA>
C26H24ClN3O3

> <PUBCHEM_MOLECULAR_WEIGHT>
461.9

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN1CCCN(CC1)C(=O)C2=CC=CC(=C2)C3=CC=C(O3)C=C4C5=C(C=CC(=C5)Cl)NC4=O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN1CCCN(CC1)C(=O)C2=CC=CC(=C2)C3=CC=C(O3)C=C4C5=C(C=CC(=C5)Cl)NC4=O

> <PUBCHEM_CACTVS_TPSA>
65.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
461.1506193

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
33

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
1

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
15  16  8
15  17  8
16  18  8
17  21  8
18  20  8
19  27  8
20  21  8
22  24  8
22  30  8
23  26  1
24  31  8
25  29  8
27  29  8
3  19  8
3  25  8
30  32  8
31  33  8
32  33  8

$$$$