
 amoxapine

 38 41  0  0  0  0  0  0  0  0999 V2000
   -0.4887   -1.4006    1.9919 C   0  0  0  0  0
   -1.0165   -1.3388    0.5423 C   0  0  0  0  0
   -1.9212   -0.1821    0.3708 N   0  0  0  0  0
   -1.2782    1.0864    0.7872 C   0  0  0  0  0
   -0.7117    0.9752    2.2184 C   0  0  0  0  0
    0.2032   -0.1679    2.4153 N   0  0  0  0  0
   -2.8322   -0.1406   -0.6956 C   0  0  0  0  0
   -2.9581    0.9745   -1.3651 N   0  0  0  0  0
   -3.8547    1.1476   -2.4293 C   0  0  0  0  0
   -4.4980    2.3849   -2.5365 C   0  0  0  0  0
   -5.3582    2.6619   -3.6031 C   0  0  0  0  0
   -5.5695    1.7050   -4.5941 C   0  0  0  0  0
   -4.9264    0.4713   -4.5134 C   0  0  0  0  0
   -4.0879    0.1948   -3.4288 C   0  0  0  0  0
   -3.5054   -1.0515   -3.3856 O   0  0  0  0  0
   -3.9058   -1.7772   -2.2910 C   0  0  0  0  0
   -3.6539   -1.3617   -0.9815 C   0  0  0  0  0
   -4.1553   -2.1131    0.0894 C   0  0  0  0  0
   -4.8521   -3.2937   -0.1604 C   0  0  0  0  0
   -5.0609   -3.7331   -1.4675 C   0  0  0  0  0
   -4.5868   -2.9726   -2.5368 C   0  0  0  0  0
   -5.4449   -4.2277    1.1569 Cl  0  0  0  0  0
   -1.3205   -1.5978    2.6801 H   0  0  0  0  0
    0.2057   -2.2419    2.0892 H   0  0  0  0  0
   -1.5116   -2.2882    0.3205 H   0  0  0  0  0
   -0.1772   -1.2462   -0.1584 H   0  0  0  0  0
   -0.4738    1.3352    0.0834 H   0  0  0  0  0
   -2.0034    1.9086    0.7775 H   0  0  0  0  0
   -0.1745    1.8976    2.4651 H   0  0  0  0  0
   -1.5391    0.8925    2.9340 H   0  0  0  0  0
    1.0129   -0.0318    1.8095 H   0  0  0  0  0
   -4.3192    3.1418   -1.7768 H   0  0  0  0  0
   -5.8526    3.6280   -3.6617 H   0  0  0  0  0
   -6.2322    1.9217   -5.4279 H   0  0  0  0  0
   -5.0874   -0.2786   -5.2820 H   0  0  0  0  0
   -3.9940   -1.7777    1.1107 H   0  0  0  0  0
   -5.5993   -4.6576   -1.6595 H   0  0  0  0  0
   -4.7628   -3.2982   -3.5586 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2  3  1  0  0  0
  2 25  1  0  0  0
  2 26  1  0  0  0
  3  4  1  0  0  0
  3  7  1  0  0  0
  4  5  1  0  0  0
  4 27  1  0  0  0
  4 28  1  0  0  0
  5  6  1  0  0  0
  5 29  1  0  0  0
  5 30  1  0  0  0
  6 31  1  0  0  0
  7 17  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  9 14  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 10 32  1  0  0  0
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 20 37  1  0  0  0
 21 38  1  0  0  0
M  END

>  <Chemical Name>
amoxapine

>  <PubChem CID>
2170

>  <Formula>
C17H16ClN3O

>  <Molecular Weight>
313.785000

>  <IUPAC Name>
8-chloro-6-piperazin-1-ylbenzo[b][1,4]benzoxazepine

>  <XlogP>
2.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CN(CCN1)C2=NC3=CC=CC=C3OC4=C2C=C(C=C4)Cl

>  <Isomeric SMILES>
C1CN(CCN1)C2=NC3=CC=CC=C3OC4=C2C=C(C=C4)Cl

>  <InChI Std. ID>
InChI=1S/C17H16ClN3O/c18-12-5-6-15-13(11-12)17(21-9-7-19-8-10-21)20-14-3-1-2-4-16(14)22-15/h1-6,11,19H,7-10H2

>  <InChI Key>
QWGDMFLQWFTERH-UHFFFAOYSA-N

