9971547
  -OEChem-05072407212D

 34 36  0     0  0  0  0  0  0999 V2000
    2.0000    0.3619    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.0250   -1.9111    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9036    2.1265    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8374   -0.9651    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3374    1.2255    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9517   -2.1265    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7384   -0.5312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9609    0.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9365   -0.5312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4235   -1.2515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7139    0.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3374    1.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9734   -1.9498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4147   -1.1190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1839   -1.2514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7713    2.1265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7234    0.7660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1862   -0.9521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9544    0.0635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0162   -1.7786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5195    0.1747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3475    0.9284    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5260   -2.3791    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9640   -0.8316    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2271   -0.5281    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3288   -1.8542    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3299    1.8575    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0403    2.6851    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2127    2.3955    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5925    1.3720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7334   -1.3755    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0984   -2.3932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6307   -1.6965    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9341   -1.1641    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2 14  1  0  0  0  0
  2 20  1  0  0  0  0
  3 12  2  0  0  0  0
  4  7  1  0  0  0  0
  4  9  1  0  0  0  0
  4 13  1  0  0  0  0
  5  8  1  0  0  0  0
  5 12  1  0  0  0  0
  5 16  1  0  0  0  0
  6 10  1  0  0  0  0
  6 13  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  2  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 11  2  0  0  0  0
  9 15  1  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 11 17  1  0  0  0  0
 13 23  1  0  0  0  0
 14 24  1  0  0  0  0
 14 25  1  0  0  0  0
 15 18  2  0  0  0  0
 15 26  1  0  0  0  0
 16 27  1  0  0  0  0
 16 28  1  0  0  0  0
 16 29  1  0  0  0  0
 17 19  2  0  0  0  0
 17 30  1  0  0  0  0
 18 19  1  0  0  0  0
 18 31  1  0  0  0  0
 20 32  1  0  0  0  0
 20 33  1  0  0  0  0
 20 34  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
9971547

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
381

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzMAAEAAAAAAAAAAAAAAAAAWAAAAAwAAAABYAAAACxwAAAHgIAAAAADArhniY30JcMFACoAyVzdASCgC01F6AJ2AE4fsiKbnrB/5mVMYhuhgLY6ec4iACOAABAIAACAAAAAIBAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
8-chloro-3-(methoxymethyl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one

> <PUBCHEM_IUPAC_CAS_NAME>
8-chloro-3-(methoxymethyl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
8-chloro-3-(methoxymethyl)-5-methyl-4<I>H</I>-imidazo[1,5-a][1,4]benzodiazepin-6-one

> <PUBCHEM_IUPAC_NAME>
8-chloro-3-(methoxymethyl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
8-chloranyl-3-(methoxymethyl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
8-chloro-3-(methoxymethyl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H14ClN3O2/c1-17-6-13-11(7-20-2)16-8-18(13)12-4-3-9(15)5-10(12)14(17)19/h3-5,8H,6-7H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
FXIDXTIMKAEBGY-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.1

> <PUBCHEM_EXACT_MASS>
291.0774544

> <PUBCHEM_MOLECULAR_FORMULA>
C14H14ClN3O2

> <PUBCHEM_MOLECULAR_WEIGHT>
291.73

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN1CC2=C(N=CN2C3=C(C1=O)C=C(C=C3)Cl)COC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN1CC2=C(N=CN2C3=C(C1=O)C=C(C=C3)Cl)COC

> <PUBCHEM_CACTVS_TPSA>
47.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
291.0774544

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <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  17  8
15  18  8
17  19  8
18  19  8
4  13  8
4  7  8
6  10  8
6  13  8
7  10  8
9  11  8
9  15  8

$$$$