
 SCHEMBL3090788

 43 46  0  0  0  0  0  0  0  0999 V2000
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    1.6817   -5.0605   -6.4719 O   0  0  0  0  0
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    3.5060   -6.5006   -7.6338 H   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL3090788

>  <PubChem CID>
68507915

>  <Formula>
C18H21N3O

>  <Molecular Weight>
295.386000

>  <IUPAC Name>
3-cyclobutyl-7-pyrazin-2-yloxy-1,2,4,5-tetrahydro-3-benzazepine

>  <XlogP>
2.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CC(C1)N2CCC3=C(CC2)C=C(C=C3)OC4=NC=CN=C4

>  <Isomeric SMILES>
C1CC(C1)N2CCC3=C(CC2)C=C(C=C3)OC4=NC=CN=C4

>  <InChI Std. ID>
InChI=1S/C18H21N3O/c1-2-16(3-1)21-10-6-14-4-5-17(12-15(14)7-11-21)22-18-13-19-8-9-20-18/h4-5,8-9,12-13,16H,1-3,6-7,10-11H2

>  <InChI Key>
AJPHJCCNCSJAFJ-UHFFFAOYSA-N

