N-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide

Systemtic Name: N-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide Openeye Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-5-(3-pyridyl)isoxazole-3-carboxamide CAS Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-5-(3-pyridinyl)-3-isoxazolecarboxamide IUPAC Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide Traditional Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-5-(3-pyridyl)isoxazole-3-carboxamide Formula: C19H18BrN3O4 MolecularWeight: 432.26792

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCNC(=O)C2=NOC(=C2)C3=CN=CC=C3)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCNC(=O)C2=NOC(=C2)C3=CN=CC=C3)Br)OC

InChI

InChI=1S/C19H18BrN3O4/c1-25-17-8-12(14(20)9-18(17)26-2)5-7-22-19(24)15-10-16(27-23-15)13-4-3-6-21-11-13/h3-4,6,8-11H,5,7H2,1-2H3,(H,22,24)