1-[7-[5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-yl]oxy-1-benzofuran-2-yl]ethanone

Systemtic Name: 1-[7-[5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-yl]oxy-1-benzofuran-2-yl]ethanone Openeye Name: 1-[7-[6-(4-benzylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]oxybenzofuran-2-yl]ethanone CAS Name: 1-[7-[[5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]-4-pyrimidinyl]oxy]-2-benzofuranyl]ethanone IUPAC Name: 1-[7-[6-(4-benzylpiperazin-1-yl)-5-nitropyrimidin-4-yl]oxy-1-benzofuran-2-yl]ethanone Traditional Name: 1-[7-[6-(4-benzylpiperazino)-5-nitro-pyrimidin-4-yl]oxybenzofuran-2-yl]ethanone Formula: C25H23N5O5 MolecularWeight: 473.48062

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(O1)C(=CC=C2)OC3=NC=NC(=C3[N+](=O)[O-])N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CC(=O)C1=CC2=C(O1)C(=CC=C2)OC3=NC=NC(=C3[N+](=O)[O-])N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C25H23N5O5/c1-17(31)21-14-19-8-5-9-20(23(19)34-21)35-25-22(30(32)33)24(26-16-27-25)29-12-10-28(11-13-29)15-18-6-3-2-4-7-18/h2-9,14,16H,10-13,15H2,1H3