
 CHEMBL197665

 56 60  0  0  0  0  0  0  0  0999 V2000
    2.9603    2.0199    1.4408 C   0  0  0  0  0
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    2.5088   -3.3185    0.2354 C   0  0  0  0  0
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    0.0413   -3.4694    0.2759 C   0  0  0  0  0
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    1.0865    2.0805   -2.1496 H   0  0  0  0  0
   -0.0457    0.1061   -3.1057 H   0  0  0  0  0
    0.0047   -2.0390   -1.9540 H   0  0  0  0  0
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    3.5050   -5.0979    1.0007 H   0  0  0  0  0
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    6.2157   -4.0841   -3.3275 H   0  0  0  0  0
    5.0715   -5.9620   -2.1957 H   0  0  0  0  0
  1  2  1  0  0  0
  1  6  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2  3  1  0  0  0
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  2 32  1  0  0  0
  3  4  1  0  0  0
  4 10  1  0  0  0
  4  5  2  0  0  0
  5  7  1  0  0  0
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  6 33  1  0  0  0
  7  8  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL197665

>  <PubChem CID>
11581611

>  <Formula>
C23H28N4O

>  <Molecular Weight>
376.504000

>  <IUPAC Name>
8-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]-3,4-dihydro-2H-1,4-benzoxazine

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1COC2=C(N1)C=CC=C2N3CCN(CC3)CCCC4=CNC5=CC=CC=C54

>  <Isomeric SMILES>
C1COC2=C(N1)C=CC=C2N3CCN(CC3)CCCC4=CNC5=CC=CC=C54

>  <InChI Std. ID>
InChI=1S/C23H28N4O/c1-2-7-20-19(6-1)18(17-25-20)5-4-11-26-12-14-27(15-13-26)22-9-3-8-21-23(22)28-16-10-24-21/h1-3,6-9,17,24-25H,4-5,10-16H2

>  <InChI Key>
DQMYTOLIZBNFND-UHFFFAOYSA-N

