57345517
  -OEChem-05072407492D

 44 47  0     0  0  0  0  0  0999 V2000
    8.1606    3.6550    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.5208    4.9161    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.2596    4.2763    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.3211   -4.2975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -2.6027    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674    0.1635    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.2979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.2979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -0.9932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -1.7979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.7979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.7979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -3.5532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -0.0427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.2979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.2979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674   -3.7594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781   -4.7099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6353   -3.0151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781    1.1141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8994    3.0151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2566    1.3203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6103    1.8584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2566   -4.9161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6138   -3.2213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5673    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9209    2.8089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9244   -4.1718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2101    3.9656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8819   -1.7979    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.4179    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.1779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5749    0.4188    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.6079    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.9879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8640   -5.1714    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4427   -2.4258    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6707    0.8588    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0036    1.7305    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4492   -5.5055    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0279   -2.7598    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1739    2.3986    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5069    3.2704    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5311   -4.2997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 29  1  0  0  0  0
  2 29  1  0  0  0  0
  3 29  1  0  0  0  0
  4 13  2  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  5 13  1  0  0  0  0
  6 14  2  0  0  0  0
  6 20  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  2  0  0  0  0
  8  9  1  0  0  0  0
  8 12  2  0  0  0  0
  9 10  2  0  0  0  0
  9 14  1  0  0  0  0
 10 30  1  0  0  0  0
 11 15  1  0  0  0  0
 11 31  1  0  0  0  0
 12 16  1  0  0  0  0
 12 32  1  0  0  0  0
 13 17  1  0  0  0  0
 14 33  1  0  0  0  0
 15 16  2  0  0  0  0
 15 34  1  0  0  0  0
 16 35  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 24  1  0  0  0  0
 18 36  1  0  0  0  0
 19 25  2  0  0  0  0
 19 37  1  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 21 26  2  0  0  0  0
 21 27  1  0  0  0  0
 21 29  1  0  0  0  0
 22 26  1  0  0  0  0
 22 38  1  0  0  0  0
 23 27  2  0  0  0  0
 23 39  1  0  0  0  0
 24 28  2  0  0  0  0
 24 40  1  0  0  0  0
 25 28  1  0  0  0  0
 25 41  1  0  0  0  0
 26 42  1  0  0  0  0
 27 43  1  0  0  0  0
 28 44  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
57345517

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
591

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7IYAAAAAAAAAAAAAAAAAAAWAAAAAwYMAAAAAAAFgB9AAAHwAAAAAADAjBnhQ8wPMMEACoAzV3VACCgCA1AiAI2CE4ZNgIIPLAlZGEIQhghgDIyYcYiMCOiAAAAAACAAAQAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
phenyl-[3-[[4-(trifluoromethyl)phenyl]iminomethyl]indol-1-yl]methanone

> <PUBCHEM_IUPAC_CAS_NAME>
phenyl-[3-[[4-(trifluoromethyl)phenyl]iminomethyl]-1-indolyl]methanone

> <PUBCHEM_IUPAC_NAME_MARKUP>
phenyl-[3-[[4-(trifluoromethyl)phenyl]iminomethyl]indol-1-yl]methanone

> <PUBCHEM_IUPAC_NAME>
phenyl-[3-[[4-(trifluoromethyl)phenyl]iminomethyl]indol-1-yl]methanone

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
phenyl-[3-[[4-(trifluoromethyl)phenyl]iminomethyl]indol-1-yl]methanone

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
phenyl-[3-[[4-(trifluoromethyl)phenyl]iminomethyl]indol-1-yl]methanone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C23H15F3N2O/c24-23(25,26)18-10-12-19(13-11-18)27-14-17-15-28(21-9-5-4-8-20(17)21)22(29)16-6-2-1-3-7-16/h1-15H

> <PUBCHEM_IUPAC_INCHIKEY>
XCIQNUJEBFSMTN-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5.7

> <PUBCHEM_EXACT_MASS>
392.11364759

> <PUBCHEM_MOLECULAR_FORMULA>
C23H15F3N2O

> <PUBCHEM_MOLECULAR_WEIGHT>
392.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)C(=O)N2C=C(C3=CC=CC=C32)C=NC4=CC=C(C=C4)C(F)(F)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)C(=O)N2C=C(C3=CC=CC=C32)C=NC4=CC=C(C=C4)C(F)(F)F

> <PUBCHEM_CACTVS_TPSA>
34.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
392.11364759

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
29

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
11  15  8
12  16  8
15  16  8
17  18  8
17  19  8
18  24  8
19  25  8
20  22  8
20  23  8
21  26  8
21  27  8
22  26  8
23  27  8
24  28  8
25  28  8
5  10  8
5  7  8
7  11  8
7  8  8
8  12  8
8  9  8
9  10  8

$$$$