2-(3-bromanylphenoxy)-N-[(2-pyrazol-1-ylpyridin-3-yl)methyl]pyridine-3-carboxamide

Systemtic Name: 2-(3-bromanylphenoxy)-N-[(2-pyrazol-1-ylpyridin-3-yl)methyl]pyridine-3-carboxamide Openeye Name: 2-(3-bromophenoxy)-N-[(2-pyrazol-1-yl-3-pyridyl)methyl]pyridine-3-carboxamide CAS Name: 2-(3-bromophenoxy)-N-[[2-(1-pyrazolyl)-3-pyridinyl]methyl]-3-pyridinecarboxamide IUPAC Name: 2-(3-bromophenoxy)-N-[(2-pyrazol-1-ylpyridin-3-yl)methyl]pyridine-3-carboxamide Traditional Name: 2-(3-bromophenoxy)-N-[(2-pyrazol-1-yl-3-pyridyl)methyl]nicotinamide Formula: C21H16BrN5O2 MolecularWeight: 450.28804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)OC2=C(C=CC=N2)C(=O)NCC3=C(N=CC=C3)N4C=CC=N4

Isomeric SMILES

C1=CC(=CC(=C1)Br)OC2=C(C=CC=N2)C(=O)NCC3=C(N=CC=C3)N4C=CC=N4

InChI

InChI=1S/C21H16BrN5O2/c22-16-6-1-7-17(13-16)29-21-18(8-3-10-24-21)20(28)25-14-15-5-2-9-23-19(15)27-12-4-11-26-27/h1-13H,14H2,(H,25,28)