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4-(4-benzylpiperazin-1-yl)-6-(4-chlorophenyl)-2-oxo-pyran-3-carbonitrile
SpectraBase Compound ID 3kDkruNCwML
InChI InChI=1S/C23H20ClN3O2/c24-19-8-6-18(7-9-19)22-14-21(20(15-25)23(28)29-22)27-12-10-26(11-13-27)16-17-4-2-1-3-5-17/h1-9,14H,10-13,16H2
InChIKey HNWJXWRHOYZYLS-UHFFFAOYSA-N
Mol Weight 405.89 g/mol
Molecular Formula C23H20ClN3O2
Exact Mass 405.124405 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7GKd9GifY6V
Name 4-(4-benzylpiperazin-1-yl)-6-(4-chlorophenyl)-2-oxo-pyran-3-carbonitrile
Comments Less than 3 mono-isotopic peaks
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Formula C23H20ClN3O2
InChI InChI=1S/C23H20ClN3O2/c24-19-8-6-18(7-9-19)22-14-21(20(15-25)23(28)29-22)27-12-10-26(11-13-27)16-17-4-2-1-3-5-17/h1-9,14H,10-13,16H2
InChIKey HNWJXWRHOYZYLS-UHFFFAOYSA-N
Molecular Weight 405.885 g/mol
SMILES C1(=C(C=C(OC1=O)c1ccc(cc1)Cl)N1CCN(CC1)Cc1ccccc1)C#N
SPLASH splash10-0a4i-0000900000-4b015b1b89250757f82c
Source of Spectrum K-2001-1957-5
Synonyms 4-(4-benzylpiperazino)-6-(4-chlorophenyl)-2-keto-pyran-3-carbonitrile 6-(4-chlorophenyl)-2-oxidanylidene-4-[4-(phenylmethyl)piperazin-1-yl]pyran-3-carbonitrile 6-(4-chlorophenyl)-2-oxo-4-[4-(phenylmethyl)-1-piperazinyl]-3-pyrancarbonitrile
Wiley ID 1579456