4-[[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethylamino]methylidene]-5-(hydroxymethyl)-2-methyl-pyridin-3-one

Systemtic Name: 4-[[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethylamino]methylidene]-5-(hydroxymethyl)-2-methyl-pyridin-3-one Openeye Name: 4-[[2-(2-bromo-4,5-dimethoxy-phenyl)ethylamino]methylene]-5-(hydroxymethyl)-2-methyl-pyridin-3-one CAS Name: 4-[[2-(2-bromo-4,5-dimethoxyphenyl)ethylamino]methylidene]-5-(hydroxymethyl)-2-methyl-3-pyridinone IUPAC Name: 4-[[2-(2-bromo-4,5-dimethoxyphenyl)ethylamino]methylidene]-5-(hydroxymethyl)-2-methylpyridin-3-one Traditional Name: 4-[[2-(2-bromo-4,5-dimethoxy-phenyl)ethylamino]methylene]-2-methyl-5-methylol-pyridin-3-one Formula: C18H21BrN2O4 MolecularWeight: 409.27434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=CNCCC2=CC(=C(C=C2Br)OC)OC)C1=O)CO

Isomeric SMILES

CC1=NC=C(C(=CNCCC2=CC(=C(C=C2Br)OC)OC)C1=O)CO

InChI

InChI=1S/C18H21BrN2O4/c1-11-18(23)14(13(10-22)8-21-11)9-20-5-4-12-6-16(24-2)17(25-3)7-15(12)19/h6-9,20,22H,4-5,10H2,1-3H3