5-bromanyl-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide

Systemtic Name: 5-bromanyl-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide Openeye Name: 5-bromo-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide CAS Name: 5-bromo-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-3-pyridinecarboxamide IUPAC Name: 5-bromo-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide Traditional Name: 5-bromo-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]nicotinamide Formula: C21H16BrN3O4 MolecularWeight: 454.27344

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=CC(=CN=C4)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=CC(=CN=C4)Br)OC

InChI

InChI=1S/C21H16BrN3O4/c1-27-18-5-3-12(8-19(18)28-2)21-25-16-9-15(4-6-17(16)29-21)24-20(26)13-7-14(22)11-23-10-13/h3-11H,1-2H3,(H,24,26)