60385512
  -OEChem-05062405142D

 34 36  0     0  0  0  0  0  0999 V2000
    3.8000   -0.9355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    0.5645    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6366   -1.9300    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    2.0645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    1.0645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    2.5645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    2.0645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    1.0645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -0.4355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    2.5992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    0.5298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.9355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.0853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4456   -0.5288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6147   -2.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1147   -1.2719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8934   -2.5992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1426    1.9568    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7441    2.6471    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7441    0.4819    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1426    1.1722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0646    3.0394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2675    3.0394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    3.2191    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -0.0901    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    2.3974    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    0.7316    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5745    0.0777    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8669   -2.7043    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7313   -1.2071    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4786   -2.1384    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4327   -3.0140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3083   -3.0599    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  2  5  1  0  0  0  0
  2  8  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  6  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6  7  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  2  0  0  0  0
  8 11  2  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>
60385512

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
318

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzIAAAAAAAAAAAAAAAAAAAAWAAAAA8QAAAAAAAAACxwAAAHgAAAAAADAjBngQ+wJMMEACoAzV3VACCgCA3AiAI2CG4ZNgIYPLAlbGUIQhghgDIyYcYgYAOAAAAAAACAAAAAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3,4-dihydro-2H-quinolin-1-yl-(1-methylpyrrol-2-yl)methanone

> <PUBCHEM_IUPAC_CAS_NAME>
3,4-dihydro-2H-quinolin-1-yl-(1-methyl-2-pyrrolyl)methanone

> <PUBCHEM_IUPAC_NAME_MARKUP>
3,4-dihydro-2<I>H</I>-quinolin-1-yl-(1-methylpyrrol-2-yl)methanone

> <PUBCHEM_IUPAC_NAME>
3,4-dihydro-2H-quinolin-1-yl-(1-methylpyrrol-2-yl)methanone

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3,4-dihydro-2H-quinolin-1-yl-(1-methylpyrrol-2-yl)methanone

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3,4-dihydro-2H-quinolin-1-yl-(1-methylpyrrol-2-yl)methanone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H16N2O/c1-16-10-5-9-14(16)15(18)17-11-4-7-12-6-2-3-8-13(12)17/h2-3,5-6,8-10H,4,7,11H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
IEEGGDQKZYYSBQ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.4

> <PUBCHEM_EXACT_MASS>
240.126263138

> <PUBCHEM_MOLECULAR_FORMULA>
C15H16N2O

> <PUBCHEM_MOLECULAR_WEIGHT>
240.30

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN1C=CC=C1C(=O)N2CCCC3=CC=CC=C32

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN1C=CC=C1C(=O)N2CCCC3=CC=CC=C32

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

$$$$