15881632
  -OEChem-04232411502D

 42 45  0     0  0  0  0  0  0999 V2000
    5.9674   -0.3643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2619    1.5972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0972    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    0.7925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    1.5972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.0972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    2.4019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619    1.5972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -0.1581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.5972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3211   -0.9024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619    2.4632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619    0.7312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.0972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619    2.4632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619    0.7312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619    1.5972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6318   -1.8529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3426   -0.6961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9639   -2.5972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6747   -1.4404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9854   -2.3910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7619    2.4632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709    2.9912    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.0228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.2172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4519    3.0002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4519    0.1942    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.7872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.4072    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0719    3.0002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0719    0.1942    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2384   -1.9807    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1500   -0.1068    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1565   -3.1865    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0681   -1.3126    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5713   -2.8524    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2988    2.1532    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0719    3.0002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2249    2.7732    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  2 19  1  0  0  0  0
  2 25  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3 10  1  0  0  0  0
  4  5  2  0  0  0  0
  4  9  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  6 11  1  0  0  0  0
  7 26  1  0  0  0  0
  8 14  2  0  0  0  0
  8 15  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  2  0  0  0  0
 10 27  1  0  0  0  0
 11 16  2  0  0  0  0
 11 28  1  0  0  0  0
 12 20  2  0  0  0  0
 12 21  1  0  0  0  0
 13 16  1  0  0  0  0
 13 31  1  0  0  0  0
 14 17  1  0  0  0  0
 14 29  1  0  0  0  0
 15 18  2  0  0  0  0
 15 30  1  0  0  0  0
 16 32  1  0  0  0  0
 17 19  2  0  0  0  0
 17 33  1  0  0  0  0
 18 19  1  0  0  0  0
 18 34  1  0  0  0  0
 20 22  1  0  0  0  0
 20 35  1  0  0  0  0
 21 23  2  0  0  0  0
 21 36  1  0  0  0  0
 22 24  2  0  0  0  0
 22 37  1  0  0  0  0
 23 24  1  0  0  0  0
 23 38  1  0  0  0  0
 24 39  1  0  0  0  0
 25 40  1  0  0  0  0
 25 41  1  0  0  0  0
 25 42  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
15881632

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
451

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB6MAAAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAFgB9AAAHgAAAAAADAzBngY+xrMMHACoA7R3RACCiCA3IiAI2CG+bNgMJvLEtbuEMShkwBHI6YeYyfCeoAAAAAAAAABAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
[2-(4-methoxyphenyl)indolizin-3-yl]-phenyl-methanone

> <PUBCHEM_IUPAC_CAS_NAME>
[2-(4-methoxyphenyl)-3-indolizinyl]-phenylmethanone

> <PUBCHEM_IUPAC_NAME_MARKUP>
[2-(4-methoxyphenyl)indolizin-3-yl]-phenylmethanone

> <PUBCHEM_IUPAC_NAME>
[2-(4-methoxyphenyl)indolizin-3-yl]-phenylmethanone

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
[2-(4-methoxyphenyl)indolizin-3-yl]-phenyl-methanone

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[2-(4-methoxyphenyl)indolizin-3-yl]-phenyl-methanone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C22H17NO2/c1-25-19-12-10-16(11-13-19)20-15-18-9-5-6-14-23(18)21(20)22(24)17-7-3-2-4-8-17/h2-15H,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
FKOCDTUQPNAICE-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5.8

> <PUBCHEM_EXACT_MASS>
327.125928785

> <PUBCHEM_MOLECULAR_FORMULA>
C22H17NO2

> <PUBCHEM_MOLECULAR_WEIGHT>
327.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC=C(C=C1)C2=C(N3C=CC=CC3=C2)C(=O)C4=CC=CC=C4

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC=C(C=C1)C2=C(N3C=CC=CC3=C2)C(=O)C4=CC=CC=C4

> <PUBCHEM_CACTVS_TPSA>
30.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
327.125928785

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
25

> <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  16  8
12  20  8
12  21  8
13  16  8
14  17  8
15  18  8
17  19  8
18  19  8
20  22  8
21  23  8
22  24  8
23  24  8
3  10  8
3  4  8
3  6  8
4  5  8
5  7  8
6  11  8
6  7  8
8  14  8
8  15  8

$$$$