
 BDBM50295252

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M  END

>  <Chemical Name>
BDBM50295252

>  <PubChem CID>
91934323

>  <Formula>
C22H24N2O

>  <Molecular Weight>
332.447000

>  <IUPAC Name>
3,9,9-trimethyl-6-phenyl-6,6a,8,10-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=CC2=C(C=C1)N=C3CC(CC(=O)C3C(N2)C4=CC=CC=C4)(C)C

>  <Isomeric SMILES>
CC1=CC2=C(C=C1)N=C3CC(CC(=O)C3C(N2)C4=CC=CC=C4)(C)C

>  <InChI Std. ID>
InChI=1S/C22H24N2O/c1-14-9-10-16-17(11-14)24-21(15-7-5-4-6-8-15)20-18(23-16)12-22(2,3)13-19(20)25/h4-11,20-21,24H,12-13H2,1-3H3

>  <InChI Key>
GOOKYIJBCRETAO-UHFFFAOYSA-N

