Chem
J-GLOBAL ID:201207014943745494
Nikkaji number:J3.048.437A
LY-686017
4-[3-(2-クロロベンゾイル)-2-ピリジル]-5-(4-ピリジル)-1-[3,5-ビス(トリフルオロメチル)ベンジル]-1H-1,2,3-トリアゾール
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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:
C28 H16 ClF6 N5 O
Molecular formula furigana:
C28-H16-CL-F6-N5-O
Molecular weight:
587.910
InChI:
InChI=1S/C28H16ClF6N5O/c29-22-6-2-1-4-20(22)26(41)21-5-3-9-37-23(21)24-25(17-7-10-36-11-8-17)40(39-38-24)15-16-12-18(27(30,31)32)14-19(13-16)28(33,34)35/h1-14H,15H2
InChI key:
CAVRKWRKTNINFF-UHFFFAOYSA-N
SMILES:
FC(F)(F)c1cc(Cn2nnc(c2c2ccncc2)c2ncccc2C(=O)c2ccccc2Cl)cc(c1)C(F)(F)F
Systematic name (3):
4-[3-(2-クロロベンゾイル)-2-ピリジル]-5-(4-ピリジル)-1-[3,5-ビス(トリフルオロメチル)ベンジル]-1H-1,2,3-トリアゾール
2-(1-{[3,5-ビス(トリフルオロメチル)フェニル]メチル}-5-(ピリジン-4-イル)-1H-1,2,3-トリアゾール-4-イル)-3-(2-クロロベンゾイル)ピリジン
2-(1-{[3,5-bis(trifluoromethyl)phenyl]methyl}-5-(pyridin-4-yl)-1H-1,2,3-triazol-4-yl)-3-(2-chlorobenzoyl)pyridine
Other name (2):
4-[3-(2-Chlorobenzoyl)-2-pyridyl]-5-(4-pyridyl)-1-[3,5-bis(trifluoromethyl)benzyl]-1H-1,2,3-triazole
LY-686017
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