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

Catalog ID
STK071388
SMILES CCCCCC(=O)N1c2ccccc2NC2=C(C1c1ccc(cc1)C(F)(F)F)C(=O)CC(C2)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 C36H39F3N2O2 MW 588.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H39F3N2O2/c1-5-6-7-12-32(43)41-30-11-9-8-10-28(30)40-29-21-25(23-13-17-26(18-14-23)35(2,3)4)22-31(42)33(29)34(41)24-15-19-27(20-16-24)36(37,38)39/h8-11,13-20,25,34,40H,5-7,12,21-22H2,1-4H3
InChIKey
LFDZYHZYPREMLE-UHFFFAOYSA-N
Synonyms

3(4(tertbutyl)phenyl)10hexanoyl11(4(trifluoromethyl)phenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
3(4(TERTBUTYL)PHENYL)10HEXANOYL11(4(TRIFLUOROMETHYL)PHENYL)234TRIHYDRO5H11HBENZO(B)BENZO(21F)14DIAZEPIN1ONE
3(4tertbutylphenyl)10hexanoyl11(4(trifluoromethyl)phenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
9(4tertbutylphenyl)5hexanoyl6(4(trifluoromethyl)phenyl)891011tetrahydro6Hbenzo(b)(14)benzodiazepin7one
CCCCCC(=O)N1C(C2=C(CC(CC2=O)C3=CC=C(C=C3)C(C)(C)C)NC4=CC=CC=C41)C5=CC=C(C=C5)C(F)(F)F
CCCCCC(=O)N1c2ccccc2NC2=C(C1c1ccc(cc1)C(F)(F)F)C(=O)CC(C2)c1ccc(cc1)C(C)(C)C
InChI=1SC36H39F3N2O2c15671232(43)413011981028(30)40292125(23131726(181423)35(23)4)2231(42)33(29)34(41)24151927(201624)36(3738)39h8111320253440H57122122H214H3
MFCD03488973
STK071388
ZINC000003772236
ZINC000097948636

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Available files

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