2-(4-bromanylphenoxy)-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]pyridine-3-carboxamide

Systemtic Name: 2-(4-bromanylphenoxy)-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]pyridine-3-carboxamide Openeye Name: 2-(4-bromophenoxy)-N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]pyridine-3-carboxamide CAS Name: 2-(4-bromophenoxy)-N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]-3-pyridinecarboxamide IUPAC Name: 2-(4-bromophenoxy)-N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]pyridine-3-carboxamide Traditional Name: 2-(4-bromophenoxy)-N-[6-(3-ketopiperazino)-3-pyridyl]nicotinamide Formula: C21H18BrN5O3 MolecularWeight: 468.30332

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C2=NC=C(C=C2)NC(=O)C3=C(N=CC=C3)OC4=CC=C(C=C4)Br

Isomeric SMILES

C1CN(CC(=O)N1)C2=NC=C(C=C2)NC(=O)C3=C(N=CC=C3)OC4=CC=C(C=C4)Br

InChI

InChI=1S/C21H18BrN5O3/c22-14-3-6-16(7-4-14)30-21-17(2-1-9-24-21)20(29)26-15-5-8-18(25-12-15)27-11-10-23-19(28)13-27/h1-9,12H,10-11,13H2,(H,23,28)(H,26,29)