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(E)-3-[1-(4-methoxyphenyl)-2,5-dimethyl-3-pyrrolyl]-2-[oxo-(4-phenyl-1-piperazinyl)methyl]-2-propenenitrile
SpectraBase Compound ID DK16Zy01Lgq
InChI InChI=1S/C27H28N4O2/c1-20-17-22(21(2)31(20)25-9-11-26(33-3)12-10-25)18-23(19-28)27(32)30-15-13-29(14-16-30)24-7-5-4-6-8-24/h4-12,17-18H,13-16H2,1-3H3/b23-18+
InChIKey ZRGDENLOXRWXJS-PTGBLXJZSA-N
Mol Weight 440.55 g/mol
Molecular Formula C27H28N4O2
Exact Mass 440.221226 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AAAjnLCWRGc
Name (E)-3-[1-(4-methoxyphenyl)-2,5-dimethyl-3-pyrrolyl]-2-[oxo-(4-phenyl-1-piperazinyl)methyl]-2-propenenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H28N4O2
InChI InChI=1S/C27H28N4O2/c1-20-17-22(21(2)31(20)25-9-11-26(33-3)12-10-25)18-23(19-28)27(32)30-15-13-29(14-16-30)24-7-5-4-6-8-24/h4-12,17-18H,13-16H2,1-3H3/b23-18+
InChIKey ZRGDENLOXRWXJS-PTGBLXJZSA-N
Molecular Weight 440.547 g/mol
SMILES C(\C(=C\c1cc([n](c1C)-c1ccc(cc1)OC)C)C#N)(=O)N1CCN(CC1)c1ccccc1
SPLASH splash10-0059-3790100000-ab76f71ab707fcd15a9e
Synonyms (E)-3-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-phenylpiperazin-1-yl)carbonyl-prop-2-enenitrile (E)-3-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-phenylpiperazine-1-carbonyl)acrylonitrile (E)-3-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-phenylpiperazine-1-carbonyl)prop-2-enenitrile
Wiley ID 1442687