N-(2-bromanyl-4-nitro-phenyl)-2-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]ethanamide

Systemtic Name: N-(2-bromanyl-4-nitro-phenyl)-2-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]ethanamide Openeye Name: N-(2-bromo-4-nitro-phenyl)-2-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-1-yl]acetamide CAS Name: N-(2-bromo-4-nitrophenyl)-2-[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazinyl]acetamide IUPAC Name: N-(2-bromo-4-nitrophenyl)-2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]acetamide Traditional Name: N-(2-bromo-4-nitro-phenyl)-2-[4-(3-fluoro-4-methoxy-benzyl)piperazino]acetamide Formula: C20H22BrFN4O4 MolecularWeight: 481.315483

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Br)F

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Br)F

InChI

InChI=1S/C20H22BrFN4O4/c1-30-19-5-2-14(10-17(19)22)12-24-6-8-25(9-7-24)13-20(27)23-18-4-3-15(26(28)29)11-16(18)21/h2-5,10-11H,6-9,12-13H2,1H3,(H,23,27)