1-[3-[6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]oxyphenyl]ethanone

Systemtic Name: 1-[3-[6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]oxyphenyl]ethanone Openeye Name: 1-[3-[6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]oxyphenyl]ethanone CAS Name: 1-[3-[[6-[4-(2-fluorophenyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]oxy]phenyl]ethanone IUPAC Name: 1-[3-[6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]oxyphenyl]ethanone Traditional Name: 1-[3-[6-[4-(2-fluorophenyl)piperazino]-5-nitro-pyrimidin-4-yl]oxyphenyl]ethanone Formula: C22H20FN5O4 MolecularWeight: 437.423703

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=C4F

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=C4F

InChI

InChI=1S/C22H20FN5O4/c1-15(29)16-5-4-6-17(13-16)32-22-20(28(30)31)21(24-14-25-22)27-11-9-26(10-12-27)19-8-3-2-7-18(19)23/h2-8,13-14H,9-12H2,1H3