72675030
  -OEChem-04262413552D

 70 75  0     1  0  0  0  0  0999 V2000
    8.1286    5.1471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3966   -1.2671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4110    1.5135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1286   -5.2671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1286    3.1471    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    7.2626    0.2329    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4503    3.4518    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1286   -1.2671    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2626    1.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1286    2.1471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5555    0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9697    0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3966    2.1471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8606    3.1471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2626    3.6471    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.9946    3.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3966    3.1471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3607    2.2811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8607    3.1471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4503    1.8424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8667    2.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2626    4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2626   -0.7671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0430    0.8904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1397    4.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8353    2.5556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0140    0.7751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4060    1.6134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1286   -2.2671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9946   -2.7671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2626   -2.7671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.6019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9946   -3.7671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2626   -3.7671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1286   -4.2671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9946   -5.7671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3406    1.5645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7392    2.2548    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1171    1.3784    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1171    0.5016    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4081    0.5016    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4081    1.3784    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0211    3.7460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7995    3.9571    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3932    4.1220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5961    4.1220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8857    1.8826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8356    1.8826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4433    2.9350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9683    3.7577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0505    5.2297    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6520    4.5394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4128    0.3927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7290    4.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9471    4.9917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5504    4.2098    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4771    3.0617    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7635    0.2080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6655   -0.9571    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1286    5.7671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5316   -2.4571    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7256   -2.4571    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4348    0.8568    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7452    0.0367    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5652    0.3471    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5316   -4.0771    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7256   -4.0771    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6846   -6.3040    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5316   -6.0771    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3046   -5.2302    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  1 60  1  0  0  0  0
  2 23  2  0  0  0  0
  3 28  1  0  0  0  0
  3 32  1  0  0  0  0
  4 35  1  0  0  0  0
  4 36  1  0  0  0  0
  5 10  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 23  1  0  0  0  0
  7 17  1  0  0  0  0
  7 21  1  0  0  0  0
  7 25  1  0  0  0  0
  8 23  1  0  0  0  0
  8 29  1  0  0  0  0
  8 59  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 37  1  0  0  0  0
 10 38  1  0  0  0  0
 11 39  1  0  0  0  0
 11 40  1  0  0  0  0
 12 41  1  0  0  0  0
 12 42  1  0  0  0  0
 13 17  2  0  0  0  0
 13 20  1  0  0  0  0
 14 16  1  0  0  0  0
 14 18  1  0  0  0  0
 14 19  1  0  0  0  0
 14 43  1  0  0  0  0
 15 17  1  0  0  0  0
 15 22  1  0  0  0  0
 15 44  1  0  0  0  0
 16 45  1  0  0  0  0
 16 46  1  0  0  0  0
 18 19  1  0  0  0  0
 18 47  1  0  0  0  0
 18 48  1  0  0  0  0
 19 49  1  0  0  0  0
 19 50  1  0  0  0  0
 20 21  2  0  0  0  0
 20 24  1  0  0  0  0
 21 26  1  0  0  0  0
 22 51  1  0  0  0  0
 22 52  1  0  0  0  0
 24 27  2  0  0  0  0
 24 53  1  0  0  0  0
 25 54  1  0  0  0  0
 25 55  1  0  0  0  0
 25 56  1  0  0  0  0
 26 28  2  0  0  0  0
 26 57  1  0  0  0  0
 27 28  1  0  0  0  0
 27 58  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 30 33  1  0  0  0  0
 30 61  1  0  0  0  0
 31 34  2  0  0  0  0
 31 62  1  0  0  0  0
 32 63  1  0  0  0  0
 32 64  1  0  0  0  0
 32 65  1  0  0  0  0
 33 35  2  0  0  0  0
 33 66  1  0  0  0  0
 34 35  1  0  0  0  0
 34 67  1  0  0  0  0
 36 68  1  0  0  0  0
 36 69  1  0  0  0  0
 36 70  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
72675030

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
794

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB7uAAAAAAAAAAAAAAAGABYAWAAAAA8YIAAAAAAAFgB9AAAHgAQCAAADyzhngYzxvPMFgCoAyRiVACCiCAhIiAI2CA+bJiOduLE8ZuUcChu1hvY6Cew0PMPoEAAAgACAABAgAAEAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(cyclopropylmethyl)-1-(hydroxymethyl)-7-methoxy-N-(4-methoxyphenyl)-9-methyl-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]-1'-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-(cyclopropylmethyl)-1-(hydroxymethyl)-7-methoxy-N-(4-methoxyphenyl)-9-methyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]carboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-(cyclopropylmethyl)-1-(hydroxymethyl)-7-methoxy-<I>N</I>-(4-methoxyphenyl)-9-methylspiro[1,3-dihydropyrido[3,4-b]indole-4,3&apos;-azetidine]-1&apos;-carboxamide

> <PUBCHEM_IUPAC_NAME>
2-(cyclopropylmethyl)-1-(hydroxymethyl)-7-methoxy-N-(4-methoxyphenyl)-9-methylspiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]-1'-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(cyclopropylmethyl)-1-(hydroxymethyl)-7-methoxy-N-(4-methoxyphenyl)-9-methyl-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]-1'-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-(cyclopropylmethyl)-7-methoxy-N-(4-methoxyphenyl)-9-methyl-1-methylol-spiro[1,3-dihydro-beta-carboline-4,3'-azetidine]-1'-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C28H34N4O4/c1-30-23-12-21(36-3)10-11-22(23)25-26(30)24(14-33)31(13-18-4-5-18)15-28(25)16-32(17-28)27(34)29-19-6-8-20(35-2)9-7-19/h6-12,18,24,33H,4-5,13-17H2,1-3H3,(H,29,34)

> <PUBCHEM_IUPAC_INCHIKEY>
JGPIKGVLZOIQGX-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.4

> <PUBCHEM_EXACT_MASS>
490.25800558

> <PUBCHEM_MOLECULAR_FORMULA>
C28H34N4O4

> <PUBCHEM_MOLECULAR_WEIGHT>
490.6

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN1C2=C(C=CC(=C2)OC)C3=C1C(N(CC34CN(C4)C(=O)NC5=CC=C(C=C5)OC)CC6CC6)CO

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN1C2=C(C=CC(=C2)OC)C3=C1C(N(CC34CN(C4)C(=O)NC5=CC=C(C=C5)OC)CC6CC6)CO

> <PUBCHEM_CACTVS_TPSA>
79.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
490.25800558

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
36

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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>
13  17  8
13  20  8
15  22  3
20  21  8
20  24  8
21  26  8
24  27  8
26  28  8
27  28  8
29  30  8
29  31  8
30  33  8
31  34  8
33  35  8
34  35  8
7  17  8
7  21  8

$$$$