1-[4-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]-3-nitro-phenyl]ethanone

Systemtic Name: 1-[4-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]-3-nitro-phenyl]ethanone Openeye Name: 1-[4-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-1-yl]-3-nitro-phenyl]ethanone CAS Name: 1-[4-[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazinyl]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-3-nitrophenyl]ethanone Traditional Name: 1-[4-[4-(3-fluoro-4-methoxy-benzyl)piperazino]-3-nitro-phenyl]ethanone Formula: C20H22FN3O4 MolecularWeight: 387.404783

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=CC(=C(C=C3)OC)F)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=CC(=C(C=C3)OC)F)[N+](=O)[O-]

InChI

InChI=1S/C20H22FN3O4/c1-14(25)16-4-5-18(19(12-16)24(26)27)23-9-7-22(8-10-23)13-15-3-6-20(28-2)17(21)11-15/h3-6,11-12H,7-10,13H2,1-2H3