71103215
  -OEChem-04252411402D

 32 34  0     0  0  0  0  0  0999 V2000
    5.1871   -1.5624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443    0.1324    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5754   -0.3539    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.4372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.4372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550   -0.8181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8335   -1.0243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279    0.9372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443    1.7419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.9372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.0628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.4372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.4372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2418   -1.9372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4423   -0.8524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2361   -1.8309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4692    0.6404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.9372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7479    0.9372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7369    2.3312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.5572    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.6828    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    0.1272    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9327   -2.4746    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0083   -0.5992    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6518   -2.2909    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0857    0.7063    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4033    1.2569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8527    0.5746    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    2.4741    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.2472    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    1.4002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  2  4  1  0  0  0  0
  2  6  1  0  0  0  0
  2  8  1  0  0  0  0
  3  7  1  0  0  0  0
  3 15  1  0  0  0  0
  3 17  1  0  0  0  0
  4  5  2  0  0  0  0
  4 11  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7 14  2  0  0  0  0
  8  9  2  0  0  0  0
  8 19  1  0  0  0  0
  9 20  1  0  0  0  0
 10 12  2  0  0  0  0
 10 21  1  0  0  0  0
 11 13  2  0  0  0  0
 11 22  1  0  0  0  0
 12 13  1  0  0  0  0
 12 18  1  0  0  0  0
 13 23  1  0  0  0  0
 14 16  1  0  0  0  0
 14 24  1  0  0  0  0
 15 16  2  0  0  0  0
 15 25  1  0  0  0  0
 16 26  1  0  0  0  0
 17 27  1  0  0  0  0
 17 28  1  0  0  0  0
 17 29  1  0  0  0  0
 18 30  1  0  0  0  0
 18 31  1  0  0  0  0
 18 32  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
71103215

> <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>
AAADccBzIAAAAAAAAAAAAAAAAAAAAWLAAAAwAAAAAAAAAFgB/AAAHgAAAAAADAjBngQ+wPMMEACoAzV3VACCgCA3AiAI2CG4ZNgIYPLAlbGUIQhghgDIyYcYgcAOCAACAAACAAAQAAQAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(5-methylindol-1-yl)-(1-methylpyrrol-2-yl)methanone

> <PUBCHEM_IUPAC_CAS_NAME>
(5-methyl-1-indolyl)-(1-methyl-2-pyrrolyl)methanone

> <PUBCHEM_IUPAC_NAME_MARKUP>
(5-methylindol-1-yl)-(1-methylpyrrol-2-yl)methanone

> <PUBCHEM_IUPAC_NAME>
(5-methylindol-1-yl)-(1-methylpyrrol-2-yl)methanone

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(5-methylindol-1-yl)-(1-methylpyrrol-2-yl)methanone

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(5-methylindol-1-yl)-(1-methylpyrrol-2-yl)methanone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H14N2O/c1-11-5-6-13-12(10-11)7-9-17(13)15(18)14-4-3-8-16(14)2/h3-10H,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
ODUPMPCTUSQLSO-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3

> <PUBCHEM_EXACT_MASS>
238.110613074

> <PUBCHEM_MOLECULAR_FORMULA>
C15H14N2O

> <PUBCHEM_MOLECULAR_WEIGHT>
238.28

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC2=C(C=C1)N(C=C2)C(=O)C3=CC=CN3C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC2=C(C=C1)N(C=C2)C(=O)C3=CC=CN3C

> <PUBCHEM_CACTVS_TPSA>
26.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
238.110613074

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
18

> <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>
10  12  8
11  13  8
12  13  8
14  16  8
15  16  8
2  4  8
2  8  8
3  15  8
3  7  8
4  11  8
4  5  8
5  10  8
5  9  8
7  14  8
8  9  8

$$$$