70505569
  -OEChem-04262405072D

 67 69  0     1  0  0  0  0  0999 V2000
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    6.2731    4.5194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7372    4.5194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0052    5.5194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5411   -1.4806    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090   -3.4806    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2731   -0.4806    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4071   -1.9806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8090   -1.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1391    0.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1391    1.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0052    1.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0052    2.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8056    0.4944    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0086    0.4944    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7171    3.4825    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2932    3.4825    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1402    3.7094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5612    6.5564    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  2 21  2  0  0  0  0
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  5 32  1  0  0  0  0
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  7  9  1  0  0  0  0
  7 17  1  0  0  0  0
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  8 19  1  0  0  0  0
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  9 33  1  0  0  0  0
 10 12  1  0  0  0  0
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 30 60  1  0  0  0  0
 30 61  1  0  0  0  0
 31 62  1  0  0  0  0
 31 63  1  0  0  0  0
 31 64  1  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
70505569

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
630

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
8

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB7OAAAAAAAAAAAAAAAAAAAAYAAAAA8QAAAAAAAAAABAAAAHgAQAAAADCzBmAYyBoPABACIAiFSEACCCAAgIAAIiIGOiMgNZyKEsTqUMCIl1hWKqYeQ4BwOIAABCAAAQABAAAIQAACAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-cyclopentyl-2-[4-[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]propanamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-cyclopentyl-2-[4-[1-oxo-3-(3,4,5-trimethoxyphenyl)prop-2-enyl]-1-piperazinyl]propanamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-cyclopentyl-2-[4-[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]propanamide

> <PUBCHEM_IUPAC_NAME>
N-cyclopentyl-2-[4-[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]propanamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-cyclopentyl-2-[4-[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]propanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-cyclopentyl-2-[4-[3-(3,4,5-trimethoxyphenyl)acryloyl]piperazino]propionamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H35N3O5/c1-17(24(29)25-19-7-5-6-8-19)26-11-13-27(14-12-26)22(28)10-9-18-15-20(30-2)23(32-4)21(16-18)31-3/h9-10,15-17,19H,5-8,11-14H2,1-4H3,(H,25,29)

> <PUBCHEM_IUPAC_INCHIKEY>
FBENYMSYSUMZFH-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.5

> <PUBCHEM_EXACT_MASS>
445.25767123

> <PUBCHEM_MOLECULAR_FORMULA>
C24H35N3O5

> <PUBCHEM_MOLECULAR_WEIGHT>
445.6

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C(=O)NC1CCCC1)N2CCN(CC2)C(=O)C=CC3=CC(=C(C(=C3)OC)OC)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C(=O)NC1CCCC1)N2CCN(CC2)C(=O)C=CC3=CC(=C(C(=C3)OC)OC)OC

> <PUBCHEM_CACTVS_TPSA>
80.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
445.25767123

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
32

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
1

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
14  20  3
22  23  1
24  25  8
24  26  8
25  28  8
26  27  8
27  29  8
28  29  8

$$$$