2-(2-bromanyl-4-fluoranyl-phenoxy)-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]propanamide

Systemtic Name: 2-(2-bromanyl-4-fluoranyl-phenoxy)-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]propanamide Openeye Name: 2-(2-bromo-4-fluoro-phenoxy)-N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]propanamide CAS Name: 2-(2-bromo-4-fluorophenoxy)-N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]propanamide IUPAC Name: 2-(2-bromo-4-fluorophenoxy)-N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]propanamide Traditional Name: 2-(2-bromo-4-fluoro-phenoxy)-N-[6-(3-ketopiperazino)-3-pyridyl]propionamide Formula: C18H18BrFN4O3 MolecularWeight: 437.262923

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CN=C(C=C1)N2CCNC(=O)C2)OC3=C(C=C(C=C3)F)Br

Isomeric SMILES

CC(C(=O)NC1=CN=C(C=C1)N2CCNC(=O)C2)OC3=C(C=C(C=C3)F)Br

InChI

InChI=1S/C18H18BrFN4O3/c1-11(27-15-4-2-12(20)8-14(15)19)18(26)23-13-3-5-16(22-9-13)24-7-6-21-17(25)10-24/h2-5,8-9,11H,6-7,10H2,1H3,(H,21,25)(H,23,26)