4-[5-bromanyl-3-(2-pyridin-3-yloxyethoxy)pyrazin-2-yl]piperazine-1-carboxylic acid

Systemtic Name: 4-[5-bromanyl-3-(2-pyridin-3-yloxyethoxy)pyrazin-2-yl]piperazine-1-carboxylic acid Openeye Name: 4-[5-bromo-3-[2-(3-pyridyloxy)ethoxy]pyrazin-2-yl]piperazine-1-carboxylic acid CAS Name: 4-[5-bromo-3-[2-(3-pyridinyloxy)ethoxy]-2-pyrazinyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[5-bromo-3-(2-pyridin-3-yloxyethoxy)pyrazin-2-yl]piperazine-1-carboxylic acid Traditional Name: 4-[5-bromo-3-[2-(3-pyridyloxy)ethoxy]pyrazin-2-yl]piperazine-1-carboxylic acid Formula: C16H18BrN5O4 MolecularWeight: 424.24922

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(N=C2OCCOC3=CN=CC=C3)Br)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=NC=C(N=C2OCCOC3=CN=CC=C3)Br)C(=O)O

InChI

InChI=1S/C16H18BrN5O4/c17-13-11-19-14(21-4-6-22(7-5-21)16(23)24)15(20-13)26-9-8-25-12-2-1-3-18-10-12/h1-3,10-11H,4-9H2,(H,23,24)