56588210
  -OEChem-04242421592D

 51 55  0     0  0  0  0  0  0999 V2000
    4.5712    2.5415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5392   -0.8671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8770    2.1814    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8669   -0.7149    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3724    0.2556    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691    3.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9782    4.1106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.9027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8281    1.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0360    0.8942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9496    0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3669    0.1511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8450   -0.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8156    0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6816    0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5882   -1.1762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8156    1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5476    0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5476    1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6816    2.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3803   -2.1543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4416    0.4528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4416    2.5222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3476    0.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3476    2.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1234   -2.8234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4292   -2.4633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9155   -3.8016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2213   -3.4415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9644   -4.1106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167    2.8781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5921    4.0243    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9565    4.7302    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7677    4.4775    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4742    3.5741    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4163    1.7665    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6147   -1.2813    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6816   -0.1325    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2786    2.2975    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0079   -0.2460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1202    0.8220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6816    3.1075    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4344   -0.1671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4344    3.1421    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8834    0.6546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8834    2.3204    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7131   -2.6318    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9684   -2.0485    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3762   -4.2164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6316   -3.6331    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8355   -4.7171    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  2 16  2  0  0  0  0
  3  6  1  0  0  0  0
  3  9  1  0  0  0  0
  3 36  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  4 37  1  0  0  0  0
  5 12  1  0  0  0  0
  5 40  1  0  0  0  0
  5 41  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 31  1  0  0  0  0
  7  8  1  0  0  0  0
  7 32  1  0  0  0  0
  7 33  1  0  0  0  0
  8 34  1  0  0  0  0
  8 35  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  2  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 15 38  1  0  0  0  0
 16 21  1  0  0  0  0
 17 20  2  0  0  0  0
 17 39  1  0  0  0  0
 18 19  1  0  0  0  0
 18 22  2  0  0  0  0
 19 20  1  0  0  0  0
 19 23  2  0  0  0  0
 20 42  1  0  0  0  0
 21 26  2  0  0  0  0
 21 27  1  0  0  0  0
 22 24  1  0  0  0  0
 22 43  1  0  0  0  0
 23 25  1  0  0  0  0
 23 44  1  0  0  0  0
 24 25  2  0  0  0  0
 24 45  1  0  0  0  0
 25 46  1  0  0  0  0
 26 28  1  0  0  0  0
 26 47  1  0  0  0  0
 27 29  2  0  0  0  0
 27 48  1  0  0  0  0
 28 30  2  0  0  0  0
 28 49  1  0  0  0  0
 29 30  1  0  0  0  0
 29 50  1  0  0  0  0
 30 51  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
56588210

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
642

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAGAAAAWAAAAAwYMAAAAAAAADB1AAAHgAQAAAADCzBngQxsNLJkACoA6dydACCgCmnACAImaGoRNiIIHrA1bGEIYhglgLIyecci8CuwAACAAAQAACAAAQAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-amino-5-benzoyl-N-cyclopropyl-4-(2-naphthyl)-1H-pyrrole-3-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-amino-5-benzoyl-N-cyclopropyl-4-(2-naphthalenyl)-1H-pyrrole-3-carboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-amino-5-benzoyl-<I>N</I>-cyclopropyl-4-naphthalen-2-yl-1<I>H</I>-pyrrole-3-carboxamide

> <PUBCHEM_IUPAC_NAME>
2-amino-5-benzoyl-N-cyclopropyl-4-naphthalen-2-yl-1H-pyrrole-3-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-azanyl-N-cyclopropyl-4-naphthalen-2-yl-5-(phenylcarbonyl)-1H-pyrrole-3-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-amino-5-benzoyl-N-cyclopropyl-4-(2-naphthyl)-1H-pyrrole-3-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C25H21N3O2/c26-24-21(25(30)27-19-12-13-19)20(18-11-10-15-6-4-5-9-17(15)14-18)22(28-24)23(29)16-7-2-1-3-8-16/h1-11,14,19,28H,12-13,26H2,(H,27,30)

> <PUBCHEM_IUPAC_INCHIKEY>
RZFAYAFUVMARAH-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5.3

> <PUBCHEM_EXACT_MASS>
395.16337692

> <PUBCHEM_MOLECULAR_FORMULA>
C25H21N3O2

> <PUBCHEM_MOLECULAR_WEIGHT>
395.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CC1NC(=O)C2=C(NC(=C2C3=CC4=CC=CC=C4C=C3)C(=O)C5=CC=CC=C5)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CC1NC(=O)C2=C(NC(=C2C3=CC4=CC=CC=C4C=C3)C(=O)C5=CC=CC=C5)N

> <PUBCHEM_CACTVS_TPSA>
88

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
395.16337692

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
30

> <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  11  8
10  12  8
11  13  8
14  15  8
14  17  8
15  18  8
17  20  8
18  19  8
18  22  8
19  20  8
19  23  8
21  26  8
21  27  8
22  24  8
23  25  8
24  25  8
26  28  8
27  29  8
28  30  8
29  30  8
4  12  8
4  13  8

$$$$