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1-[3-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]-4-(4-dimethylaminophenyl)-2-(4-methylphenyl)-3H-1,2,4-triazol-5-yl]ethanone

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1-[3-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]-4-(4-dimethylaminophenyl)-2-(4-methylphenyl)-3H-1,2,4-triazol-5-yl]ethanone
SpectraBase Compound ID DSW9oN52kZJ
InChI InChI=1S/C36H33ClN4O2/c1-24-9-16-31(17-10-24)41-36(40(35(38-41)25(2)42)30-20-18-29(19-21-30)39(3)4)34-32-8-6-5-7-27(32)13-22-33(34)43-23-26-11-14-28(37)15-12-26/h5-22,36H,23H2,1-4H3
InChIKey URMKCGUKURPLAP-UHFFFAOYSA-N
Mol Weight 589.1 g/mol
Molecular Formula C36H33ClN4O2
Exact Mass 588.229204 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EdUQRsFTmr7
Name 1-[3-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]-4-(4-dimethylaminophenyl)-2-(4-methylphenyl)-3H-1,2,4-triazol-5-yl]ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H33ClN4O2
InChI InChI=1S/C36H33ClN4O2/c1-24-9-16-31(17-10-24)41-36(40(35(38-41)25(2)42)30-20-18-29(19-21-30)39(3)4)34-32-8-6-5-7-27(32)13-22-33(34)43-23-26-11-14-28(37)15-12-26/h5-22,36H,23H2,1-4H3
InChIKey URMKCGUKURPLAP-UHFFFAOYSA-N
Molecular Weight 589.139 g/mol
SMILES c1ccc2c(C3N(C(=NN3c3ccc(cc3)C)C(=O)C)c3ccc(cc3)N(C)C)c(OCc3ccc(cc3)Cl)ccc2c1
SPLASH splash10-00di-0219140000-7c564996f21e6ab43ede
Synonyms 1-[3-[2-[(4-chlorophenyl)methoxy]-1-naphthalenyl]-4-[4-(dimethylamino)phenyl]-2-(4-methylphenyl)-3H-1,2,4-triazol-5-yl]ethanone 1-[3-[2-[(4-chlorophenyl)methoxy]-1-naphthyl]-4-[4-(dimethylamino)phenyl]-2-(p-tolyl)-3H-1,2,4-triazol-5-yl]ethanone 1-[3-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]-4-[4-(dimethylamino)phenyl]-2-(4-methylphenyl)-3H-1,2,4-triazol-5-yl]ethanone
Wiley ID 1454715