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N-[2-methoxy-5-(3-methyl-4-oxo-3,4-dihydro-1-phthalazinyl)benzyl]-N'-phenylurea

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N-[2-methoxy-5-(3-methyl-4-oxo-3,4-dihydro-1-phthalazinyl)benzyl]-N'-phenylurea
SpectraBase Compound ID IxMRBpd38k4
InChI InChI=1S/C24H22N4O3/c1-28-23(29)20-11-7-6-10-19(20)22(27-28)16-12-13-21(31-2)17(14-16)15-25-24(30)26-18-8-4-3-5-9-18/h3-14H,15H2,1-2H3,(H2,25,26,30)
InChIKey GJMOMWKYADCDFP-UHFFFAOYSA-N
Mol Weight 414.47 g/mol
Molecular Formula C24H22N4O3
Exact Mass 414.169191 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6mhqTRuBwzc
Name N-[2-Methoxy-5-(3-methyl-4-oxo-3,4-dihydro-1-phthalazinyl)benzyl]-N'-phenylurea
Comments Computed using HOSE algorithm
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Exact Mass 414.169190581 u
Formula C24H22N4O3
InChI InChI=1S/C24H22N4O3/c1-28-23(29)20-11-7-6-10-19(20)22(27-28)16-12-13-21(31-2)17(14-16)15-25-24(30)26-18-8-4-3-5-9-18/h3-14H,15H2,1-2H3,(H2,25,26,30)
InChIKey GJMOMWKYADCDFP-UHFFFAOYSA-N
Molecular Weight 414.465 g/mol
SMILES N(C(NCC=1C=C(C2=NN(C(=O)C3=C2C=CC=C3)C)C=CC1OC)=O)C1=CC=CC=C1