
 BDBM252781

 55 58  0  0  0  0  0  0  0  0999 V2000
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    2.5674    0.1498    1.1876 H   0  0  0  0  0
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M  END

>  <Chemical Name>
BDBM252781

>  <PubChem CID>
131636400

>  <Formula>
C23H25F2N3O2

>  <Molecular Weight>
413.469000

>  <IUPAC Name>
(6R)-1-[2-(difluoromethyl)-6-methylpyridin-4-yl]-3-(4-methoxy-3-methylphenyl)-6-methyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]oxazepine

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1CN2C(=C(N=C2C3=CC(=C(C=C3)OC)C)C4=CC(=NC(=C4)C(F)F)C)CCO1

>  <Isomeric SMILES>
C[C@@H]1CN2C(=C(N=C2C3=CC(=C(C=C3)OC)C)C4=CC(=NC(=C4)C(F)F)C)CCO1

>  <InChI Std. ID>
InChI=1S/C23H25F2N3O2/c1-13-9-16(5-6-20(13)29-4)23-27-21(19-7-8-30-15(3)12-28(19)23)17-10-14(2)26-18(11-17)22(24)25/h5-6,9-11,15,22H,7-8,12H2,1-4H3/t15-/m1/s1

>  <InChI Key>
BEGSLPZGSYZQOG-OAHLLOKOSA-N

