60282366
  -OEChem-04162419052D

 50 52  0     0  0  0  0  0  0999 V2000
    9.7619   -2.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7619   -0.5670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619    2.0311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.5311    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    1.2264    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619    1.1651    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6783    2.8358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.0311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619   -1.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619    0.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2619   -1.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.0311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000    2.5311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7619   -0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -2.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2619    0.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.5311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.0311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619   -3.1651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7619   -2.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2619    0.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -4.0311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8445    2.2431    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1542    2.6417    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709    3.4251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1419   -0.5670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4519    0.6281    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.4111    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.8411    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2869   -1.9005    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2869   -2.6976    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5719    0.8360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.2211    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860    4.0311    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.6511    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460    4.0311    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8819   -3.1651    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7619   -2.9190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3819   -2.2990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7619   -1.6790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7988   -0.0110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5719    0.8360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7249    0.6090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1419   -4.0311    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0719   -4.5680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 25  1  0  0  0  0
  2 19  1  0  0  0  0
  2 26  1  0  0  0  0
  3 17  2  0  0  0  0
  4  8  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  2  0  0  0  0
  6  9  1  0  0  0  0
  6 17  1  0  0  0  0
  6 32  1  0  0  0  0
  7  9  1  0  0  0  0
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  9 29  1  0  0  0  0
 10 30  1  0  0  0  0
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 22 38  1  0  0  0  0
 23 39  1  0  0  0  0
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 23 41  1  0  0  0  0
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 25 43  1  0  0  0  0
 25 44  1  0  0  0  0
 25 45  1  0  0  0  0
 26 46  1  0  0  0  0
 26 47  1  0  0  0  0
 26 48  1  0  0  0  0
 27 49  1  0  0  0  0
 27 50  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
60282366

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
515

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAAWAAAAA8QAAAAAAAAFgB8AAAHgAQAAAADAzBnwY/tp/MHACoAzd3dACCiC01MqAJ2KE+/NiNbvLE/ZuUMSpsxhPK6ae63PLOIAADAAAIQABAAAYAABCAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-allyl-4,5-dimethoxy-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]benzamide

> <PUBCHEM_IUPAC_CAS_NAME>
3,4-dimethoxy-N-[(5-methyl-2-imidazo[1,2-a]pyridinyl)methyl]-5-prop-2-enylbenzamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
3,4-dimethoxy-<I>N</I>-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5-prop-2-enylbenzamide

> <PUBCHEM_IUPAC_NAME>
3,4-dimethoxy-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5-prop-2-enylbenzamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3,4-dimethoxy-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5-prop-2-enyl-benzamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-allyl-4,5-dimethoxy-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]benzamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C21H23N3O3/c1-5-7-15-10-16(11-18(26-3)20(15)27-4)21(25)22-12-17-13-24-14(2)8-6-9-19(24)23-17/h5-6,8-11,13H,1,7,12H2,2-4H3,(H,22,25)

> <PUBCHEM_IUPAC_INCHIKEY>
TVAXOAUAHZVEMM-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4

> <PUBCHEM_EXACT_MASS>
365.17394160

> <PUBCHEM_MOLECULAR_FORMULA>
C21H23N3O3

> <PUBCHEM_MOLECULAR_WEIGHT>
365.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC=CC2=NC(=CN12)CNC(=O)C3=CC(=C(C(=C3)OC)OC)CC=C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC=CC2=NC(=CN12)CNC(=O)C3=CC(=C(C(=C3)OC)OC)CC=C

> <PUBCHEM_CACTVS_TPSA>
64.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
365.17394160

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
27

> <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  18  8
12  14  8
12  15  8
13  14  8
13  21  8
15  19  8
16  22  8
18  22  8
19  21  8
4  10  8
4  11  8
4  8  8
5  7  8
5  8  8
7  10  8
8  16  8

$$$$