4-[5-bromanyl-6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]piperazine-1-carboxylic acid

Systemtic Name: 4-[5-bromanyl-6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]piperazine-1-carboxylic acid Openeye Name: 4-[5-bromo-6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]piperazine-1-carboxylic acid CAS Name: 4-[5-bromo-6-[(3-chlorophenyl)methoxy]-2-pyrazinyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[5-bromo-6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]piperazine-1-carboxylic acid Traditional Name: 4-[5-bromo-6-(3-chlorobenzyl)oxy-pyrazin-2-yl]piperazine-1-carboxylic acid Formula: C16H16BrClN4O3 MolecularWeight: 427.68024

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CN=C(C(=N2)OCC3=CC(=CC=C3)Cl)Br)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=CN=C(C(=N2)OCC3=CC(=CC=C3)Cl)Br)C(=O)O

InChI

InChI=1S/C16H16BrClN4O3/c17-14-15(25-10-11-2-1-3-12(18)8-11)20-13(9-19-14)21-4-6-22(7-5-21)16(23)24/h1-3,8-9H,4-7,10H2,(H,23,24)