
 CHEMBL143862

 60 63  0  0  0  0  0  0  0  0999 V2000
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    6.4792    7.9336   -1.6789 O   0  0  0  0  0
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    6.9758    8.9638    2.7628 N   0  0  0  0  0
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    2.5584    0.5624   -2.5896 H   0  0  0  0  0
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    4.7574   -1.3693   -1.6694 H   0  0  0  0  0
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    6.1454    2.5039   -2.3448 H   0  0  0  0  0
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    3.5445    4.0159   -2.9213 H   0  0  0  0  0
    4.3660    5.8925   -1.6921 H   0  0  0  0  0
    4.5314    4.9214    0.6412 H   0  0  0  0  0
    3.1831    4.3491   -0.3232 H   0  0  0  0  0
    5.7953    2.8446    0.2093 H   0  0  0  0  0
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    7.5135   10.3368   -1.3860 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL143862

>  <PubChem CID>
10691444

>  <Formula>
C23H32N2O3

>  <Molecular Weight>
384.520000

>  <IUPAC Name>
(1-butylpiperidin-4-yl)methyl 2,3,4,5-tetrahydro-[1,3]oxazepino[3,2-a]indole-11-carboxylate

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCCCN1CCC(CC1)COC(=O)C2=C3N(CCCCO3)C4=CC=CC=C42

>  <Isomeric SMILES>
CCCCN1CCC(CC1)COC(=O)C2=C3N(CCCCO3)C4=CC=CC=C42

>  <InChI Std. ID>
InChI=1S/C23H32N2O3/c1-2-3-12-24-14-10-18(11-15-24)17-28-23(26)21-19-8-4-5-9-20(19)25-13-6-7-16-27-22(21)25/h4-5,8-9,18H,2-3,6-7,10-17H2,1H3

>  <InChI Key>
FBUHEYRHDPWJEF-UHFFFAOYSA-N

