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3-(4-tert-butylphenyl)-11-(2-chlorophenyl)-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

Catalog ID
STK023928
SMILES O=C1CC(CC2=C1C(c1ccccc1Cl)N(c1c(N2)cccc1)C(=O)C(F)(F)F)c1ccc(cc1)C(C)(C)C

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C31H28ClF3N2O2 MW 553.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28ClF3N2O2/c1-30(2,3)20-14-12-18(13-15-20)19-16-24-27(26(38)17-19)28(21-8-4-5-9-22(21)32)37(29(39)31(33,34)35)25-11-7-6-10-23(25)36-24/h4-15,19,28,36H,16-17H2,1-3H3
InChIKey
VPWWYTRFJBZEGV-UHFFFAOYSA-N
Synonyms

3(4(tertbutyl)phenyl)11(2chlorophenyl)10(222trifluoroacetyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
3(4(TERTBUTYL)PHENYL)11(2CHLOROPHENYL)10(222TRIFLUOROACETYL)234TRIHYDRO5H11HBENZO(B)BENZO(21F)14DIAZEPIN1ONE
3(4tertbutylphenyl)11(2chlorophenyl)10(trifluoroacetyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
9(4tertbutylphenyl)6(2chlorophenyl)5(222trifluoroacetyl)891011tetrahydro6Hbenzo(b)(14)benzodiazepin7one
CC(C)(C)C1=CC=C(C=C1)C2CC3=C(C(N(C4=CC=CC=C4N3)C(=O)C(F)(F)F)C5=CC=CC=C5Cl)C(=O)C2
InChI=1SC31H28ClF3N2O2c130(23)20141218(131520)19162427(26(38)1719)28(21845922(21)32)37(29(39)31(3334)35)2511761023(25)3624h415192836H1617H213H3
MFCD03488968
O=C1CC(CC2=C1C(c1ccccc1Cl)N(c1c(N2)cccc1)C(=O)C(F)(F)F)c1ccc(cc1)C(C)(C)C
STK023928
ZINC000053319488
ZINC000097948121

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Available files

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