3-bromanyl-4-ethoxy-5-methoxy-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzamide

Systemtic Name: 3-bromanyl-4-ethoxy-5-methoxy-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzamide Openeye Name: 3-bromo-4-ethoxy-5-methoxy-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzamide CAS Name: 3-bromo-4-ethoxy-5-methoxy-N-[3-(2-methyl-4-pyrimidinyl)phenyl]benzamide IUPAC Name: 3-bromo-4-ethoxy-5-methoxy-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzamide Traditional Name: 3-bromo-4-ethoxy-5-methoxy-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzamide Formula: C21H20BrN3O3 MolecularWeight: 442.3058

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C(=O)NC2=CC=CC(=C2)C3=NC(=NC=C3)C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)C(=O)NC2=CC=CC(=C2)C3=NC(=NC=C3)C)OC

InChI

InChI=1S/C21H20BrN3O3/c1-4-28-20-17(22)11-15(12-19(20)27-3)21(26)25-16-7-5-6-14(10-16)18-8-9-23-13(2)24-18/h5-12H,4H2,1-3H3,(H,25,26)