2-(4-bromanylphenoxy)-N-[(2,3,4-trimethoxyphenyl)methyl]pyridine-3-carboxamide

Systemtic Name: 2-(4-bromanylphenoxy)-N-[(2,3,4-trimethoxyphenyl)methyl]pyridine-3-carboxamide Openeye Name: 2-(4-bromophenoxy)-N-[(2,3,4-trimethoxyphenyl)methyl]pyridine-3-carboxamide CAS Name: 2-(4-bromophenoxy)-N-[(2,3,4-trimethoxyphenyl)methyl]-3-pyridinecarboxamide IUPAC Name: 2-(4-bromophenoxy)-N-[(2,3,4-trimethoxyphenyl)methyl]pyridine-3-carboxamide Traditional Name: 2-(4-bromophenoxy)-N-(2,3,4-trimethoxybenzyl)nicotinamide Formula: C22H21BrN2O5 MolecularWeight: 473.31654

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CNC(=O)C2=C(N=CC=C2)OC3=CC=C(C=C3)Br)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)CNC(=O)C2=C(N=CC=C2)OC3=CC=C(C=C3)Br)OC)OC

InChI

InChI=1S/C22H21BrN2O5/c1-27-18-11-6-14(19(28-2)20(18)29-3)13-25-21(26)17-5-4-12-24-22(17)30-16-9-7-15(23)8-10-16/h4-12H,13H2,1-3H3,(H,25,26)