Chem
J-GLOBAL ID：200907018700977222   Nikkaji number：J1.719.293K

BIRB-796

BIRB-796
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： C31H37N5O3
Molecular formula furigana： C31-H37-N5-O3
Molecular weight： 527.669
InChI： InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)
InChI key： MVCOAUNKQVWQHZ-UHFFFAOYSA-N
SMILES： Cc1ccc(cc1)n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Systematic name  (6)：
  • 1-[5-tert-ブチル-2-(4-メチルフェニル)-2H-ピラゾール-3-イル]-3-[4-(2-モルホリノエトキシ)-1-ナフチル]尿素
  • 1-[1-(4-メチルフェニル)-3-tert-ブチル-1H-ピラゾール-5-イル]-3-[4-(2-モルホリノエトキシ)-1-ナフチル]尿素
  • 1-(4-メチルフェニル)-3-tert-ブチル-5-[3-[4-[2-(4-モルホリニル)エトキシ]-1-ナフチル]ウレイド]-1H-ピラゾール
  • 1-[1-(4-メチルフェニル)-3-tert-ブチル-1H-ピラゾール-5-イル]-3-[4-(2-モルホリノエトキシ)ナフタレン-1-イル]尿素
  • 3-[3-tert-ブチル-1-(4-メチルフェニル)-1H-ピラゾール-5-イル]-1-{4-[2-(モルホリン-4-イル)エトキシ]ナフタレン-1-イル}尿素
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Other name (8)：
  • 1-[5-tert-Butyl-2-(4-methylphenyl)-2H-pyrazole-3-yl]-3-[4-(2-morpholinoethoxy)-1-naphthyl]urea
  • BIRB-796BS
  • 1-[1-(4-Methylphenyl)-3-tert-butyl-1H-pyrazole-5-yl]-3-[4-(2-morpholinoethoxy)-1-naphthyl]urea
  • BIRB-796
  • 1-(4-Methylphenyl)-3-tert-butyl-5-[3-[4-[2-(4-morpholinyl)ethoxy]-1-naphthyl]ureido]-1H-pyrazole
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