Chem
J-GLOBAL ID:200907065786169849
Nikkaji number:J2.725.787I
MLN-8054
4-[[9-クロロ-7-(2,6-ジフルオロフェニル)-1,3,6-トリアザ-5H-ジベンゾ[a,c]シクロヘプテン-2-イル]アミノ]安息香酸
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Substance type:
Substance type
Substance type classified into 3 categories. Decided structure: Substances with a clear structure Undicided Structure: Substances with unknown or undetermined structure Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula:
C25 H15 ClF2 N4 O2
Molecular formula furigana:
C25-H15-CL-F2-N4-O2
Molecular weight:
476.870
InChI:
InChI=1S/C25H15ClF2N4O2/c26-15-6-9-17-18(10-15)23(21-19(27)2-1-3-20(21)28)29-11-14-12-30-25(32-22(14)17)31-16-7-4-13(5-8-16)24(33)34/h1-10,12H,11H2,(H,33,34)(H,30,31,32)
InChI key:
HHFBDROWDBDFBR-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4c3n2)c2c(F)cccc2F)cc1
Systematic name (3):
4-[[9-クロロ-7-(2,6-ジフルオロフェニル)-1,3,6-トリアザ-5H-ジベンゾ[a,c]シクロヘプテン-2-イル]アミノ]安息香酸
4-{[13-クロロ-10-(2,6-ジフルオロフェニル)-3,5,9-トリアザトリシクロ[9.4.0.02,7 ]ペンタデカ-1(15),2,4,6,9,11,13-ヘプタエン-4-イル]アミノ}安息香酸
4-{[13-chloro-10-(2,6-difluorophenyl)-3,5,9-triazatricyclo[9.4.0.02,7 ]pentadeca-1(15),2,4,6,9,11,13-heptaen-4-yl]amino}benzoic acid
Other name (2):
4-[[9-Chloro-7-(2,6-difluorophenyl)-1,3,6-triaza-5H-dibenzo[a,c]cycloheptene-2-yl]amino]benzoic acid
MLN-8054
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