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3-[(1-ethyl-1H-benzimidazol-2-yl)amino]-1-(2-methoxyphenyl)-2,5-pyrrolidinedione
SpectraBase Compound ID CnyxPrtl7bN
InChI InChI=1S/C20H20N4O3/c1-3-23-15-9-5-4-8-13(15)21-20(23)22-14-12-18(25)24(19(14)26)16-10-6-7-11-17(16)27-2/h4-11,14H,3,12H2,1-2H3,(H,21,22)
InChIKey PWXPCNUZDTZBTH-UHFFFAOYSA-N
Mol Weight 364.41 g/mol
Molecular Formula C20H20N4O3
Exact Mass 364.153541 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 14yuloYtC9v
Name 3-[(1-Ethyl-1H-benzimidazol-2-yl)amino]-1-(2-methoxyphenyl)-2,5-pyrrolidinedione
Comments Computed using HOSE algorithm
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Exact Mass 364.153540517 u
Formula C20H20N4O3
InChI InChI=1S/C20H20N4O3/c1-3-23-15-9-5-4-8-13(15)21-20(23)22-14-12-18(25)24(19(14)26)16-10-6-7-11-17(16)27-2/h4-11,14H,3,12H2,1-2H3,(H,21,22)
InChIKey PWXPCNUZDTZBTH-UHFFFAOYSA-N
Molecular Weight 364.405 g/mol
SMILES N(C1=NC=2C=CC=CC2N1CC)C1C(N(C(C1)=O)C1=C(OC)C=CC=C1)=O