53245551
  -OEChem-04262406022D

 53 57  0     0  0  0  0  0  0999 V2000
    8.0641    3.2726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781    0.2275    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5998    1.5322    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0162    0.7275    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781    1.2274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4121    1.7274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5460    0.2275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5460    1.2274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1441   -0.2725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1441   -1.2726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3960    2.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2892   -1.0278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1961    2.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2941    3.2967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0102   -1.7726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781   -1.7726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9570   -1.7721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3107   -1.2340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0102   -2.7726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781   -2.7726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1441   -3.2726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6678   -2.9288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6464   -2.7226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.1845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1441   -4.2726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3572   -3.8794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0679    4.2726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7547   -0.3802    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3562    0.3101    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4121   -0.8925    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7214    1.4181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8555    3.0727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2917    3.9167    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5471   -1.4626    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7412   -1.4626    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5637   -1.6442    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8966   -0.7726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5471   -3.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7412   -3.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0604   -3.1841    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3933   -2.3124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5241   -4.2726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1441   -4.8926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7641   -4.2726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7679   -3.6868    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1646   -4.4687    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9465   -4.0720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6879    4.2702    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0703    4.8925    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4479    4.2749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  1 30  1  0  0  0  0
  2  5  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  2  0  0  0  0
  4 11  2  0  0  0  0
  5  6  2  0  0  0  0
  5 12  1  0  0  0  0
  6  8  1  0  0  0  0
  6 14  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  9 13  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  2  0  0  0  0
 12 34  1  0  0  0  0
 13 18  2  0  0  0  0
 13 19  1  0  0  0  0
 14 17  2  0  0  0  0
 14 35  1  0  0  0  0
 15 20  2  0  0  0  0
 15 21  1  0  0  0  0
 16 17  1  0  0  0  0
 17 36  1  0  0  0  0
 18 22  1  0  0  0  0
 18 37  1  0  0  0  0
 19 23  2  0  0  0  0
 19 38  1  0  0  0  0
 20 26  1  0  0  0  0
 20 39  1  0  0  0  0
 21 27  2  0  0  0  0
 21 40  1  0  0  0  0
 22 24  2  0  0  0  0
 22 41  1  0  0  0  0
 23 24  1  0  0  0  0
 23 42  1  0  0  0  0
 24 28  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 25 29  1  0  0  0  0
 26 43  1  0  0  0  0
 27 44  1  0  0  0  0
 28 45  1  0  0  0  0
 28 46  1  0  0  0  0
 28 47  1  0  0  0  0
 29 48  1  0  0  0  0
 29 49  1  0  0  0  0
 29 50  1  0  0  0  0
 30 51  1  0  0  0  0
 30 52  1  0  0  0  0
 30 53  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
53245551

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
555

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7IAAAAAAAAAAAAAAAAAAAAWAAAAA8YMEAAAAAAFix1AAAHgAIAAAADAzBngY+xvMMFACiAzRnRACSjCAxIiAY2CA+bJgMJuLE8duEtChmyBnI6AeQ0OMOYAAAAgACAADAAAAEAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
7-methoxy-3-(p-tolyl)-5-(p-tolylmethyl)pyrazolo[4,3-c]quinoline

> <PUBCHEM_IUPAC_CAS_NAME>
7-methoxy-3-(4-methylphenyl)-5-[(4-methylphenyl)methyl]pyrazolo[4,3-c]quinoline

> <PUBCHEM_IUPAC_NAME_MARKUP>
7-methoxy-3-(4-methylphenyl)-5-[(4-methylphenyl)methyl]pyrazolo[4,3-c]quinoline

> <PUBCHEM_IUPAC_NAME>
7-methoxy-3-(4-methylphenyl)-5-[(4-methylphenyl)methyl]pyrazolo[4,3-c]quinoline

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
7-methoxy-3-(4-methylphenyl)-5-[(4-methylphenyl)methyl]pyrazolo[4,3-c]quinoline

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
7-methoxy-5-(4-methylbenzyl)-3-(p-tolyl)pyrazolo[4,3-c]quinoline

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C26H23N3O/c1-17-4-8-19(9-5-17)15-29-16-23-25(20-10-6-18(2)7-11-20)27-28-26(23)22-13-12-21(30-3)14-24(22)29/h4-14,16H,15H2,1-3H3

> <PUBCHEM_IUPAC_INCHIKEY>
PLBZLYQPIBUXDT-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.9

> <PUBCHEM_EXACT_MASS>
393.184112366

> <PUBCHEM_MOLECULAR_FORMULA>
C26H23N3O

> <PUBCHEM_MOLECULAR_WEIGHT>
393.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC=C(C=C1)CN2C=C3C(=NN=C3C4=C2C=C(C=C4)OC)C5=CC=C(C=C5)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC=C(C=C1)CN2C=C3C(=NN=C3C4=C2C=C(C=C4)OC)C5=CC=C(C=C5)C

> <PUBCHEM_CACTVS_TPSA>
39.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
393.184112366

> <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>
12  16  8
13  18  8
13  19  8
14  17  8
15  20  8
15  21  8
16  17  8
18  22  8
19  23  8
2  10  8
2  5  8
20  26  8
21  27  8
22  24  8
23  24  8
25  26  8
25  27  8
3  4  8
3  8  8
4  11  8
5  12  8
5  6  8
6  14  8
6  8  8
7  10  8
7  11  8

$$$$