
 BDBM50295221

 55 58  0  0  0  0  0  0  0  0999 V2000
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    3.7515   -0.2652    3.9282 Cl  0  0  0  0  0
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    1.4188    0.2768   -0.9457 H   0  0  0  0  0
    3.8970    0.5171    1.4588 H   0  0  0  0  0
    5.3658    2.2110    0.3183 H   0  0  0  0  0
    2.0613    1.3734   -2.5344 H   0  0  0  0  0
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M  END

>  <Chemical Name>
BDBM50295221

>  <PubChem CID>
91934292

>  <Formula>
C24H26ClFN2O

>  <Molecular Weight>
412.933000

>  <IUPAC Name>
6-(2-chloro-6-fluorophenyl)-5-ethyl-3,9,9-trimethyl-6,6a,8,10-tetrahydrobenzo[b][1,4]benzodiazepin-7-one

>  <XlogP>
5.4

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCN1C(C2C(=NC3=C1C=C(C=C3)C)CC(CC2=O)(C)C)C4=C(C=CC=C4Cl)F

>  <Isomeric SMILES>
CCN1C(C2C(=NC3=C1C=C(C=C3)C)CC(CC2=O)(C)C)C4=C(C=CC=C4Cl)F

>  <InChI Std. ID>
InChI=1S/C24H26ClFN2O/c1-5-28-19-11-14(2)9-10-17(19)27-18-12-24(3,4)13-20(29)22(18)23(28)21-15(25)7-6-8-16(21)26/h6-11,22-23H,5,12-13H2,1-4H3

>  <InChI Key>
IQAPNRIITLPCHN-UHFFFAOYSA-N

