53528886
  -OEChem-04262423082D

 34 36  0     1  0  0  0  0  0999 V2000
    4.3211   -1.1289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    0.5659    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3758   -1.5037    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    1.3706    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.6783    2.1753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.8706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.8706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619    1.3706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -0.3847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.3706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.3706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674   -0.5909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.8706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.8706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7094    0.0795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3701   -1.3975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5763   -0.4190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8772   -2.3706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5436    0.8183    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2156    2.4846    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4272    2.7422    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619    0.7506    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8819    1.3706    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619    1.9906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.9906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2494    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.1806    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.5606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6436    0.6960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7858   -1.8575    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1423   -0.1658    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3398   -2.0615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5682   -2.9081    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4147   -2.6797    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  2  4  1  0  0  0  0
  2  7  1  0  0  0  0
  2  9  1  0  0  0  0
  3 12  1  0  0  0  0
  3 16  1  0  0  0  0
  3 18  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4 19  1  0  0  0  0
  5  6  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  2  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 25  1  0  0  0  0
 11 14  1  0  0  0  0
 11 26  1  0  0  0  0
 12 15  2  0  0  0  0
 13 14  2  0  0  0  0
 13 27  1  0  0  0  0
 14 28  1  0  0  0  0
 15 17  1  0  0  0  0
 15 29  1  0  0  0  0
 16 17  2  0  0  0  0
 16 30  1  0  0  0  0
 17 31  1  0  0  0  0
 18 32  1  0  0  0  0
 18 33  1  0  0  0  0
 18 34  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
53528886

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
331

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzIAAAAAAAAAAAAAAAAAAAAWLAAAAwAAAAAAAAAFgBwAAAHgAAAAAADCjBngQ+wJMMEACoAzV3VACCgCA3AiAI2CG4ZNgIYPLAlbGUIQhghgDIyYcYgYAOAAAAAAACAAAAAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(2-methylindolin-1-yl)-(1-methylpyrrol-2-yl)methanone

> <PUBCHEM_IUPAC_CAS_NAME>
(2-methyl-2,3-dihydroindol-1-yl)-(1-methyl-2-pyrrolyl)methanone

> <PUBCHEM_IUPAC_NAME_MARKUP>
(2-methyl-2,3-dihydroindol-1-yl)-(1-methylpyrrol-2-yl)methanone

> <PUBCHEM_IUPAC_NAME>
(2-methyl-2,3-dihydroindol-1-yl)-(1-methylpyrrol-2-yl)methanone

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(2-methyl-2,3-dihydroindol-1-yl)-(1-methylpyrrol-2-yl)methanone

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(2-methylindolin-1-yl)-(1-methylpyrrol-2-yl)methanone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H16N2O/c1-11-10-12-6-3-4-7-13(12)17(11)15(18)14-8-5-9-16(14)2/h3-9,11H,10H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
OEBBPLOXVQKKQB-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.5

> <PUBCHEM_EXACT_MASS>
240.126263138

> <PUBCHEM_MOLECULAR_FORMULA>
C15H16N2O

> <PUBCHEM_MOLECULAR_WEIGHT>
240.30

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1CC2=CC=CC=C2N1C(=O)C3=CC=CN3C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1CC2=CC=CC=C2N1C(=O)C3=CC=CN3C

> <PUBCHEM_CACTVS_TPSA>
25.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
240.126263138

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
18

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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>
10  13  8
11  14  8
12  15  8
13  14  8
15  17  8
16  17  8
3  12  8
3  16  8
4  8  3
6  10  8
6  7  8
7  11  8

$$$$