
 CHEMBL213006

 54 58  0  0  0  0  0  0  0  0999 V2000
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    2.8405    0.1828    0.0420 H   0  0  0  0  0
    2.7816    1.5820    1.0989 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL213006

>  <PubChem CID>
5167627

>  <Formula>
C23H26ClN3O

>  <Molecular Weight>
395.931000

>  <IUPAC Name>
2-(2-chlorophenyl)-1'-propylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]

>  <XlogP>
5.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCCN1CCC2(CC1)N3C(CC(=N3)C4=CC=CC=C4Cl)C5=CC=CC=C5O2

>  <Isomeric SMILES>
CCCN1CCC2(CC1)N3C(CC(=N3)C4=CC=CC=C4Cl)C5=CC=CC=C5O2

>  <InChI Std. ID>
InChI=1S/C23H26ClN3O/c1-2-13-26-14-11-23(12-15-26)27-21(18-8-4-6-10-22(18)28-23)16-20(25-27)17-7-3-5-9-19(17)24/h3-10,21H,2,11-16H2,1H3

>  <InChI Key>
AOXXLSYBPYSIPW-UHFFFAOYSA-N

