5-[3,5-bis(bromanyl)-4-[3-(methylamino)propoxy]phenyl]-3-[(3-bromanyl-4-methoxy-phenyl)methyl]-1H-pyrazin-2-one

Systemtic Name: 5-[3,5-bis(bromanyl)-4-[3-(methylamino)propoxy]phenyl]-3-[(3-bromanyl-4-methoxy-phenyl)methyl]-1H-pyrazin-2-one Openeye Name: 3-[(3-bromo-4-methoxy-phenyl)methyl]-5-[3,5-dibromo-4-[3-(methylamino)propoxy]phenyl]-1H-pyrazin-2-one CAS Name: 3-[(3-bromo-4-methoxyphenyl)methyl]-5-[3,5-dibromo-4-[3-(methylamino)propoxy]phenyl]-1H-pyrazin-2-one IUPAC Name: 3-[(3-bromo-4-methoxyphenyl)methyl]-5-[3,5-dibromo-4-[3-(methylamino)propoxy]phenyl]-1H-pyrazin-2-one Traditional Name: 3-(3-bromo-4-methoxy-benzyl)-5-[3,5-dibromo-4-[3-(methylamino)propoxy]phenyl]-1H-pyrazin-2-one Formula: C22H22Br3N3O3 MolecularWeight: 616.14038

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Descriptors Computed from Structure

Canonical SMILES:

CNCCCOC1=C(C=C(C=C1Br)C2=CNC(=O)C(=N2)CC3=CC(=C(C=C3)OC)Br)Br

Isomeric SMILES

CNCCCOC1=C(C=C(C=C1Br)C2=CNC(=O)C(=N2)CC3=CC(=C(C=C3)OC)Br)Br

InChI

InChI=1S/C22H22Br3N3O3/c1-26-6-3-7-31-21-16(24)10-14(11-17(21)25)19-12-27-22(29)18(28-19)9-13-4-5-20(30-2)15(23)8-13/h4-5,8,10-12,26H,3,6-7,9H2,1-2H3,(H,27,29)