1088600
  -OEChem-05032420432D

 35 37  0     0  0  0  0  0  0999 V2000
    2.8660    0.8724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.6276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0084    1.1771    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.1276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0084   -0.4324    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5920    0.3724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3191    2.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.2476    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.9924    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    1.1824    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.4924    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9084    1.9350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5117    2.7170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7297    2.3202    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.9376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.3176    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.7476    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.9376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    1.9093    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.6824    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.8354    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  1 21  1  0  0  0  0
  2 13  2  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3 15  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  4 25  1  0  0  0  0
  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  8 10  1  0  0  0  0
  9 10  2  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 22  1  0  0  0  0
 11 12  2  0  0  0  0
 11 23  1  0  0  0  0
 12 24  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 26  1  0  0  0  0
 15 27  1  0  0  0  0
 15 28  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 17 29  1  0  0  0  0
 18 20  1  0  0  0  0
 18 30  1  0  0  0  0
 19 20  2  0  0  0  0
 19 31  1  0  0  0  0
 20 32  1  0  0  0  0
 21 33  1  0  0  0  0
 21 34  1  0  0  0  0
 21 35  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
1088600

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
379

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzsAAAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAFgB9AAAHgAYAAAADAyBngYyxrLIBACqAyVyVACCDAQlsgAY2CE/fNgOZrLEtZuVMShk1BHY6YecyQCeCAAAQAAAECAQAACAAAAgQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-(2-methoxyphenyl)-1-methyl-benzotriazole-5-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-(2-methoxyphenyl)-1-methyl-5-benzotriazolecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-(2-methoxyphenyl)-1-methylbenzotriazole-5-carboxamide

> <PUBCHEM_IUPAC_NAME>
N-(2-methoxyphenyl)-1-methylbenzotriazole-5-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-(2-methoxyphenyl)-1-methyl-benzotriazole-5-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-(2-methoxyphenyl)-1-methyl-benzotriazole-5-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H14N4O2/c1-19-13-8-7-10(9-12(13)17-18-19)15(20)16-11-5-3-4-6-14(11)21-2/h3-9H,1-2H3,(H,16,20)

> <PUBCHEM_IUPAC_INCHIKEY>
PNMQAMJBTQULHL-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.9

> <PUBCHEM_EXACT_MASS>
282.11167570

> <PUBCHEM_MOLECULAR_FORMULA>
C15H14N4O2

> <PUBCHEM_MOLECULAR_WEIGHT>
282.30

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN1C2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3OC)N=N1

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN1C2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3OC)N=N1

> <PUBCHEM_CACTVS_TPSA>
69

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
282.11167570

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <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  12  8
14  16  8
14  17  8
16  18  8
17  19  8
18  20  8
19  20  8
3  6  8
3  7  8
5  6  8
5  8  8
7  11  8
7  8  8
8  10  8
9  10  8
9  12  8

$$$$