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5-Methyl-3-[p-(4'-phenyl-4',5'-dihydro-3'H-benzo[b]-[1',5']diazepin-2'-yl)-phenyl]-3H-2-oxo-.delta.4-1,3,4-oxadiazoline
SpectraBase Compound ID JskNfpS7uCR
InChI InChI=1S/C24H20N4O2/c1-16-27-28(24(29)30-16)19-13-11-18(12-14-19)23-15-22(17-7-3-2-4-8-17)25-20-9-5-6-10-21(20)26-23/h2-14,22,25H,15H2,1H3
InChIKey SPMKYASBBXDETA-UHFFFAOYSA-N
Mol Weight 396.45 g/mol
Molecular Formula C24H20N4O2
Exact Mass 396.158626 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2BkEeL60kCI
Name 5-Methyl-3-[p-(4'-phenyl-4',5'-dihydro-3'H-benzo[b]-[1',5']diazepin-2'-yl)-phenyl]-3H-2-oxo-.delta.4-1,3,4-oxadiazoline
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Formula C24H20N4O2
InChI InChI=1S/C24H20N4O2/c1-16-27-28(24(29)30-16)19-13-11-18(12-14-19)23-15-22(17-7-3-2-4-8-17)25-20-9-5-6-10-21(20)26-23/h2-14,22,25H,15H2,1H3
InChIKey SPMKYASBBXDETA-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cjoc.200690025
Molecular Weight 396.450 g/mol
SMILES N1c2c(N=C(CC1c1ccccc1)c1ccc(N3N=C(OC3=O)C)cc1)cccc2
SPLASH splash10-0089-2049000000-093ad0660d1fe22cf59e
Source of Spectrum CJC-24-82-8a
Synonyms 5-Methyl-3-(4-(2-phenyl-2,3-dihydro-1H-benzo[b][1,4]diazepin-4-yl)phenyl)-1,3,4-oxadiazol-2(3H)-one
Wiley ID 1774222