5-[(5-bromanyl-2-phenylmethoxy-phenyl)methylamino]pyrazine-2-carboxylate

Systemtic Name: 5-[(5-bromanyl-2-phenylmethoxy-phenyl)methylamino]pyrazine-2-carboxylate Openeye Name: 5-[(2-benzyloxy-5-bromo-phenyl)methylamino]pyrazine-2-carboxylate CAS Name: 5-[(5-bromo-2-phenylmethoxyphenyl)methylamino]-2-pyrazinecarboxylate IUPAC Name: 5-[(5-bromo-2-phenylmethoxyphenyl)methylamino]pyrazine-2-carboxylate Traditional Name: 5-[(2-benzoxy-5-bromo-benzyl)amino]pyrazinate Formula: C19H15BrN3O3- MolecularWeight: 413.2447

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)CNC3=NC=C(N=C3)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)CNC3=NC=C(N=C3)C(=O)[O-]

InChI

InChI=1S/C19H16BrN3O3/c20-15-6-7-17(26-12-13-4-2-1-3-5-13)14(8-15)9-22-18-11-21-16(10-23-18)19(24)25/h1-8,10-11H,9,12H2,(H,22,23)(H,24,25)/p-1