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4-(2-Imidazolyl)-2,6-dimethyl-3,5-bis-N-(4-methylphenyl)-carbamoyl-1,4-dihydro-pyridine

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4-(2-Imidazolyl)-2,6-dimethyl-3,5-bis-N-(4-methylphenyl)-carbamoyl-1,4-dihydro-pyridine
SpectraBase Compound ID yuVytMoY9I
InChI InChI=1S/C26H27N5O2/c1-15-5-9-19(10-6-15)30-25(32)21-17(3)29-18(4)22(23(21)24-27-13-14-28-24)26(33)31-20-11-7-16(2)8-12-20/h5-14,23,29H,1-4H3,(H,27,28)(H,30,32)(H,31,33)
InChIKey ZJPDUAPSHUPFNF-UHFFFAOYSA-N
Mol Weight 441.54 g/mol
Molecular Formula C26H27N5O2
Exact Mass 441.216475 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5wODWUrvdsH
Name 4-(2-Imidazolyl)-2,6-dimethyl-3,5-bis-N-(4-methylphenyl)-carbamoyl-1,4-dihydro-pyridine
Comments Computed using HOSE algorithm
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Exact Mass 441.216475127 u
Formula C26H27N5O2
InChI InChI=1S/C26H27N5O2/c1-15-5-9-19(10-6-15)30-25(32)21-17(3)29-18(4)22(23(21)24-27-13-14-28-24)26(33)31-20-11-7-16(2)8-12-20/h5-14,23,29H,1-4H3,(H,27,28)(H,30,32)(H,31,33)
InChIKey ZJPDUAPSHUPFNF-UHFFFAOYSA-N
Molecular Weight 441.535 g/mol
SMILES C=1(C(C(C(NC2=CC=C(C=C2)C)=O)=C(NC1C)C)C1=NC=CN1)C(NC1=CC=C(C=C1)C)=O