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(4E,6E)-7-amino-6-((E)-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)diazenyl)-5-(piperidin-1-yl)-1,4-thiazepin-3(2H)-one

View entire compound with spectra: 1 MS (GC)

(4E,6E)-7-amino-6-((E)-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)diazenyl)-5-(piperidin-1-yl)-1,4-thiazepin-3(2H)-one
SpectraBase Compound ID 7B2g5jt2RE5
InChI InChI=1S/C21H25N7O2S/c1-14-17(21(30)28(26(14)2)15-9-5-3-6-10-15)24-25-18-19(22)31-13-16(29)23-20(18)27-11-7-4-8-12-27/h3,5-6,9-10H,4,7-8,11-13,22H2,1-2H3/b25-24+
InChIKey YWEMOAVPJSOLJW-OCOZRVBESA-N
Mol Weight 439.54 g/mol
Molecular Formula C21H25N7O2S
Exact Mass 439.179044 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FgQqJWByESH
Name (4E,6E)-7-amino-6-((E)-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)diazenyl)-5-(piperidin-1-yl)-1,4-thiazepin-3(2H)-one
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Formula C21H25N7O2S
InChI InChI=1S/C21H25N7O2S/c1-14-17(21(30)28(26(14)2)15-9-5-3-6-10-15)24-25-18-19(22)31-13-16(29)23-20(18)27-11-7-4-8-12-27/h3,5-6,9-10H,4,7-8,11-13,22H2,1-2H3/b25-24+
InChIKey YWEMOAVPJSOLJW-OCOZRVBESA-N
Molecular Weight 439.538 g/mol
SMILES NC1=C(\N=N\C=2C(N(c3ccccc3)N(C2C)C)=O)C(=NC(=O)CS1)N1CCCCC1
SPLASH splash10-004i-5900100000-4dc0af3903071e935cb1
Source of Spectrum Y-51-1702-9
Synonyms (E)-7-amino-6-((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)diazenyl)-5-(piperidin-1-yl)-1,4-thiazepin-3(2H)-one
Wiley ID 1741641