2-(3-bromanylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide

Systemtic Name: 2-(3-bromanylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide Openeye Name: 2-(3-bromophenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide CAS Name: 2-(3-bromophenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyridinecarboxamide IUPAC Name: 2-(3-bromophenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide Traditional Name: 2-(3-bromophenoxy)-N-homoveratryl-nicotinamide Formula: C22H21BrN2O4 MolecularWeight: 457.31714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21BrN2O4/c1-27-19-9-8-15(13-20(19)28-2)10-12-24-21(26)18-7-4-11-25-22(18)29-17-6-3-5-16(23)14-17/h3-9,11,13-14H,10,12H2,1-2H3,(H,24,26)