Chem
J-GLOBAL ID:201307063232646920
Nikkaji number:J3.137.433B
N-[(S)-1-(3-Chloro-4-fluorophenyl)-2-hydroxyethyl]-4-[4-(3-chlorophenyl)-1H-pyrazole-3-yl]-1H-pyrrole-2-carboxamide
N-[(S)-1-(3-クロロ-4-フルオロフェニル)-2-ヒドロキシエチル]-4-[4-(3-クロロフェニル)-1H-ピラゾール-3-イル]-1H-ピロール-2-カルボアミド
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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 H17 Cl2 FN4 O2
Molecular formula furigana:
C22-H17-CL2-F-N4-O2
Molecular weight:
459.300
InChI:
InChI=1S/C22H17Cl2FN4O2/c23-15-3-1-2-12(6-15)16-10-27-29-21(16)14-8-19(26-9-14)22(31)28-20(11-30)13-4-5-18(25)17(24)7-13/h1-10,20,26,30H,11H2,(H,27,29)(H,28,31)/t20-/m1/s1
InChI key:
YMUYGRBBEDYUOP-HXUWFJFHSA-N
SMILES:
OC[C@@H](NC(=O)c1cc(c[nH]1)c1n[nH]cc1c1cccc(Cl)c1)c1ccc(F)c(Cl)c1
Systematic name (3):
N-[(S)-1-(3-クロロ-4-フルオロフェニル)-2-ヒドロキシエチル]-4-[4-(3-クロロフェニル)-1H-ピラゾール-3-イル]-1H-ピロール-2-カルボアミド
N-[(1S)-1-(3-クロロ-4-フルオロフェニル)-2-ヒドロキシエチル]-4-[4-(3-クロロフェニル)-1H-ピラゾール-3-イル]-1H-ピロール-2-カルボキサミド
N-[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-4-[4-(3-chlorophenyl)-1H-pyrazol-3-yl]-1H-pyrrole-2-carboxamide
Other name (1):
N-[(S)-1-(3-Chloro-4-fluorophenyl)-2-hydroxyethyl]-4-[4-(3-chlorophenyl)-1H-pyrazole-3-yl]-1H-pyrrole-2-carboxamide
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