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5-(Phenyl-4-piperazino)methyl-2-bis(phenylcarbamoyl)amino-2-oxazoline
SpectraBase Compound ID BHs4ZoumtuX
InChI InChI=1S/C28H30N6O3/c35-26(30-22-12-6-2-7-13-22)34(27(36)31-23-14-8-3-9-15-23)28-32-24(20-33-18-16-29-17-19-33)25(37-28)21-10-4-1-5-11-21/h1-15,24-25,29H,16-20H2,(H,30,35)(H,31,36)
InChIKey DOMCMLGAJPCSAL-UHFFFAOYSA-N
Mol Weight 498.59 g/mol
Molecular Formula C28H30N6O3
Exact Mass 498.237939 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GW1wt5AlyqD
Name 5-(Phenyl-4-piperazino)methyl-2-bis(phenylcarbamoyl)amino-2-oxazoline
Alternate Name(s) 2-Oxazolamine, 4,5-dihydro-N,N-bis[(phenylamino)carbonyl]-5-[(4-phenylpiperazin-1-yl)methyl]- N,N'-Diphenyl-N-(5-[(4-phenyl-1-piperazinyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl)dicarbonimidic diamide N,N'-diphenyl-N-[5-phenyl-4-(1-piperazinylmethyl)-4,5-dihydro-1,3-oxazol-2-yl]dicarbonimidic diamide
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Formula C28H30N6O3
InChI InChI=1S/C28H30N6O3/c35-26(30-22-12-6-2-7-13-22)34(27(36)31-23-14-8-3-9-15-23)28-32-24(20-33-18-16-29-17-19-33)25(37-28)21-10-4-1-5-11-21/h1-15,24-25,29H,16-20H2,(H,30,35)(H,31,36)
InChIKey DOMCMLGAJPCSAL-UHFFFAOYSA-N
Molecular Weight 498.587 g/mol
SMILES N(C(N(C(Nc1ccccc1)=O)C1=NC(CN2CCNCC2)C(O1)c1ccccc1)=O)c1ccccc1
SPLASH splash10-00or-4900000000-8e2ae5c2775b5ae73939
Source of Spectrum O-26-110-10
Wiley ID 1398569