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

Systemtic Name: ethyl 5-[(5-bromanyl-2-phenylmethoxy-phenyl)methylamino]pyrazine-2-carboxylate Openeye Name: ethyl 5-[(2-benzyloxy-5-bromo-phenyl)methylamino]pyrazine-2-carboxylate CAS Name: 5-[(5-bromo-2-phenylmethoxyphenyl)methylamino]-2-pyrazinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(5-bromo-2-phenylmethoxyphenyl)methylamino]pyrazine-2-carboxylate Traditional Name: 5-[(2-benzoxy-5-bromo-benzyl)amino]pyrazinic acid ethyl ester Formula: C21H20BrN3O3 MolecularWeight: 442.3058

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=N1)NCC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CN=C(C=N1)NCC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C21H20BrN3O3/c1-2-27-21(26)18-12-25-20(13-23-18)24-11-16-10-17(22)8-9-19(16)28-14-15-6-4-3-5-7-15/h3-10,12-13H,2,11,14H2,1H3,(H,24,25)