69271712
  -OEChem-04262423572D

 39 41  0     0  0  0  0  0  0999 V2000
    2.0000   -1.5569    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.1279   -2.5569    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -3.3616    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8335   -0.5954    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0761    3.2066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7654    2.2561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.0569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -1.7522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.0569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1441    0.3551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0546    3.4129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4083    3.9510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4333    1.5118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7870    2.0499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279   -2.5569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550   -0.8016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1226    0.5613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4763    1.0994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.5569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.5569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.0569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4902    2.7452    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1825    2.8062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6613    3.5407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9268    4.0196    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8697    4.3650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9942    4.4124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9468    3.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0400    1.6397    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3729    2.5114    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7369   -3.9510    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4409   -0.3402    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5367    0.0998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8696    0.9715    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2475   -1.0569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.9369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.1769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -3.3669    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  2 15  2  0  0  0  0
  3  9  1  0  0  0  0
  3 15  1  0  0  0  0
  3 32  1  0  0  0  0
  4 10  1  0  0  0  0
  4 16  1  0  0  0  0
  4 36  1  0  0  0  0
  5  6  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 23  1  0  0  0  0
  6 13  2  0  0  0  0
  6 14  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 19  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  2  3  0  0  0
  9 20  1  0  0  0  0
 10 17  2  0  0  0  0
 10 18  1  0  0  0  0
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 11 26  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
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 14 18  2  0  0  0  0
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 17 34  1  0  0  0  0
 18 35  1  0  0  0  0
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 19 37  1  0  0  0  0
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 21 22  1  0  0  0  0
 22 39  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
69271712

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
440

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7IAAEAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAFgBQAAAHgIQAAAADQrBmCQywILAAACIAiVWUACCAAAhBwAIiIEIZsgIIDLBl5GEIAhglADIyMcciMCOiABAIAACAAAQAIBAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-chloro-3-[(4-isopropylanilino)methylene]indolin-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
5-chloro-3-[(4-propan-2-ylanilino)methylidene]-1H-indol-2-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
5-chloro-3-[(4-propan-2-ylanilino)methylidene]-1<I>H</I>-indol-2-one

> <PUBCHEM_IUPAC_NAME>
5-chloro-3-[(4-propan-2-ylanilino)methylidene]-1H-indol-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-chloranyl-3-[[(4-propan-2-ylphenyl)amino]methylidene]-1H-indol-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5-chloro-3-(cumidinomethylene)oxindole

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H17ClN2O/c1-11(2)12-3-6-14(7-4-12)20-10-16-15-9-13(19)5-8-17(15)21-18(16)22/h3-11,20H,1-2H3,(H,21,22)

> <PUBCHEM_IUPAC_INCHIKEY>
MCGNPASHTSRBCM-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.3

> <PUBCHEM_EXACT_MASS>
312.1029409

> <PUBCHEM_MOLECULAR_FORMULA>
C18H17ClN2O

> <PUBCHEM_MOLECULAR_WEIGHT>
312.8

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C)C1=CC=C(C=C1)NC=C2C3=C(C=CC(=C3)Cl)NC2=O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C)C1=CC=C(C=C1)NC=C2C3=C(C=CC(=C3)Cl)NC2=O

> <PUBCHEM_CACTVS_TPSA>
41.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
312.1029409

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
22

> <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>
10  17  8
10  18  8
13  17  8
14  18  8
19  21  8
20  22  8
21  22  8
6  13  8
6  14  8
7  19  8
7  9  8
8  16  1
9  20  8

$$$$