Chem
J-GLOBAL ID：200907060467348852   Nikkaji number：J933.804G

4-[4-[4-[4-[[2-[2,4-Dichlorophenyl]-2β-[1H-1,2,4-triazol-1-ylmethyl]-1,3-dioxolan-4β-yl]methoxy]phenyl]-1-piperazinyl]phenyl]-2,4-dihydro-2-(1-methyl-2-hydroxypropyl)-3H-1,2,4-triazol-3-one

4-[4-[4-[4-[[2-[2,4-ジクロロフェニル]-2β-[1H-1,2,4-トリアゾール-1-イルメチル]-1,3-ジオキソラン-4β-イル]メトキシ]フェニル]-1-ピペラジニル]フェニル]-2,4-ジヒドロ-2-(1-メチル-2-ヒドロキシプロピル)-3H-1,2,4-トリアゾール-3-オン
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： C35H38Cl2N8O5
Molecular formula furigana： C35-H38-CL2-N8-O5
Molecular weight： 721.640
InChI： InChI=1S/C35H38Cl2N8O5/c1-24(25(2)46)45-34(47)44(23-40-45)29-6-4-27(5-7-29)41-13-15-42(16-14-41)28-8-10-30(11-9-28)48-18-31-19-49-35(50-31,20-43-22-38-21-39-43)32-12-3-26(36)17-33(32)37/h3-12,17,21-25,31,46H,13-16,18-20H2,1-2H3/t24?,25?,31-,35-/m0/s1
InChI key： ISJVOEOJQLKSJU-QURBUZHQSA-N
SMILES： CC(O)C(C)n1ncn(c2ccc(cc2)N2CCN(CC2)c2ccc(OC[C@H]3CO[C@@](Cn4cncn4)(O3)c3ccc(Cl)cc3Cl)cc2)c1=O
Systematic name  (3)：
  • 4-[4-[4-[4-[[2-[2,4-ジクロロフェニル]-2β-[1H-1,2,4-トリアゾール-1-イルメチル]-1,3-ジオキソラン-4β-イル]メトキシ]フェニル]-1-ピペラジニル]フェニル]-2,4-ジヒドロ-2-(1-メチル-2-ヒドロキシプロピル)-3H-1,2,4-トリアゾール-3-オン
  • 4-{4-[4-(4-{[(2R,4S)-2-(2,4-ジクロロフェニル)-2-[(1H-1,2,4-トリアゾール-1-イル)メチル]-1,3-ジオキソラン-4-イル]メトキシ}フェニル)ピペラジン-1-イル]フェニル}-1-(3-ヒドロキシブタン-2-イル)-4,5-ジヒドロ-1H-1,2,4-トリアゾール-5-オン
  • 4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-[(1H-1,2,4-triazol-1-yl)methyl]-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-1-(3-hydroxybutan-2-yl)-4,5-dihydro-1H-1,2,4-triazol-5-one
Other name (1)：
  • 4-[4-[4-[4-[[2-[2,4-Dichlorophenyl]-2β-[1H-1,2,4-triazol-1-ylmethyl]-1,3-dioxolan-4β-yl]methoxy]phenyl]-1-piperazinyl]phenyl]-2,4-dihydro-2-(1-methyl-2-hydroxypropyl)-3H-1,2,4-triazol-3-one
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