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2-[2-bromanyl-4-[2-(4-chlorophenyl)-5-ethanoyl-4-(4-methylphenyl)-3H-1,2,4-triazol-3-yl]-6-methoxy-phenoxy]-1-piperidin-1-yl-ethanone
SpectraBase Compound ID FiAc5Qn9ALk
InChI InChI=1S/C31H32BrClN4O4/c1-20-7-11-24(12-8-20)36-30(21(2)38)34-37(25-13-9-23(33)10-14-25)31(36)22-17-26(32)29(27(18-22)40-3)41-19-28(39)35-15-5-4-6-16-35/h7-14,17-18,31H,4-6,15-16,19H2,1-3H3
InChIKey NDICSHBWWOCEQS-UHFFFAOYSA-N
Mol Weight 640.0 g/mol
Molecular Formula C31H32BrClN4O4
Exact Mass 638.129546 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AztLqEhgwGO
Name 2-[2-bromanyl-4-[2-(4-chlorophenyl)-5-ethanoyl-4-(4-methylphenyl)-3H-1,2,4-triazol-3-yl]-6-methoxy-phenoxy]-1-piperidin-1-yl-ethanone
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Formula C31H32BrClN4O4
InChI InChI=1S/C31H32BrClN4O4/c1-20-7-11-24(12-8-20)36-30(21(2)38)34-37(25-13-9-23(33)10-14-25)31(36)22-17-26(32)29(27(18-22)40-3)41-19-28(39)35-15-5-4-6-16-35/h7-14,17-18,31H,4-6,15-16,19H2,1-3H3
InChIKey NDICSHBWWOCEQS-UHFFFAOYSA-N
Molecular Weight 639.978 g/mol
SMILES C1CCN(C(COc2c(cc(C3N(c4ccc(cc4)Cl)N=C(N3c3ccc(cc3)C)C(=O)C)cc2Br)OC)=O)CC1
SPLASH splash10-03dl-8309104000-fe1b03c5104ca106cbd3
Synonyms 2-[4-[5-acetyl-2-(4-chlorophenyl)-4-(4-methylphenyl)-3H-1,2,4-triazol-3-yl]-2-bromo-6-methoxyphenoxy]-1-(1-piperidinyl)ethanone 2-[4-[5-acetyl-2-(4-chlorophenyl)-4-(4-methylphenyl)-3H-1,2,4-triazol-3-yl]-2-bromo-6-methoxyphenoxy]-1-piperidin-1-ylethanone 2-[4-[5-acetyl-2-(4-chlorophenyl)-4-(p-tolyl)-3H-1,2,4-triazol-3-yl]-2-bromo-6-methoxy-phenoxy]-1-(1-piperidyl)ethanone 2-[4-[5-acetyl-2-(4-chlorophenyl)-4-(p-tolyl)-3H-1,2,4-triazol-3-yl]-2-bromo-6-methoxy-phenoxy]-1-piperidino-ethanone
Wiley ID 1437474