Chem
J-GLOBAL ID:200907058773486261
Nikkaji number:J703.335D
1-[4-(2,2,3,3-Tetrafluoropropoxy)phenyl]-4-[(1R,2R)-1-methyl-2-hydroxy-2-(2,4-difluorophenyl)-3-(1H-1,2,4-triazol-1-yl)propyl]-1H-tetrazol-5(4H)-one
1-[4-(2,2,3,3-テトラフルオロプロポキシ)フェニル]-4-[(1R,2R)-1-メチル-2-ヒドロキシ-2-(2,4-ジフルオロフェニル)-3-(1H-1,2,4-トリアゾール-1-イル)プロピル]-1H-テトラゾール-5(4H)-オン
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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:
C22 H19 F6 N7 O3
Molecular formula furigana:
C22-H19-F6-N7-O3
Molecular weight:
543.430
InChI:
InChI=1S/C22H19F6N7O3/c1-13(21(37,9-33-12-29-11-30-33)17-7-2-14(23)8-18(17)24)34-20(36)35(32-31-34)15-3-5-16(6-4-15)38-10-22(27,28)19(25)26/h2-8,11-13,19,37H,9-10H2,1H3/t13-,21-/m1/s1
InChI key:
WPNCKBBKDLJTAS-LRTDBIEQSA-N
SMILES:
C[C@@H](n1nnn(c2ccc(OCC(F)(F)C(F)F)cc2)c1=O)[C@](O)(Cn1cncn1)c1ccc(F)cc1F
Systematic name (3):
1-[4-(2,2,3,3-テトラフルオロプロポキシ)フェニル]-4-[(1R,2R)-1-メチル-2-ヒドロキシ-2-(2,4-ジフルオロフェニル)-3-(1H-1,2,4-トリアゾール-1-イル)プロピル]-1H-テトラゾール-5(4H)-オン
1-[(2R,3R)-3-(2,4-ジフルオロフェニル)-3-ヒドロキシ-4-(1H-1,2,4-トリアゾール-1-イル)ブタン-2-イル]-4-[4-(2,2,3,3-テトラフルオロプロポキシ)フェニル]-4,5-ジヒドロ-1H-1,2,3,4-テトラゾール-5-オン
1-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)butan-2-yl]-4-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-4,5-dihydro-1H-1,2,3,4-tetrazol-5-one
Other name (1):
1-[4-(2,2,3,3-Tetrafluoropropoxy)phenyl]-4-[(1R,2R)-1-methyl-2-hydroxy-2-(2,4-difluorophenyl)-3-(1H-1,2,4-triazol-1-yl)propyl]-1H-tetrazol-5(4H)-one
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