[4-(6-nitropyridin-3-yl)piperazin-1-yl]-[3-(phenoxymethyl)-1-benzofuran-2-yl]methanone

Systemtic Name: [4-(6-nitropyridin-3-yl)piperazin-1-yl]-[3-(phenoxymethyl)-1-benzofuran-2-yl]methanone Openeye Name: [4-(6-nitro-3-pyridyl)piperazin-1-yl]-[3-(phenoxymethyl)benzofuran-2-yl]methanone CAS Name: [4-(6-nitro-3-pyridinyl)-1-piperazinyl]-[3-(phenoxymethyl)-2-benzofuranyl]methanone IUPAC Name: [4-(6-nitropyridin-3-yl)piperazin-1-yl]-[3-(phenoxymethyl)-1-benzofuran-2-yl]methanone Traditional Name: [4-(6-nitro-3-pyridyl)piperazino]-[3-(phenoxymethyl)benzofuran-2-yl]methanone Formula: C25H22N4O5 MolecularWeight: 458.46598

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CN=C(C=C2)[N+](=O)[O-])C(=O)C3=C(C4=CC=CC=C4O3)COC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CN=C(C=C2)[N+](=O)[O-])C(=O)C3=C(C4=CC=CC=C4O3)COC5=CC=CC=C5

InChI

InChI=1S/C25H22N4O5/c30-25(28-14-12-27(13-15-28)18-10-11-23(26-16-18)29(31)32)24-21(17-33-19-6-2-1-3-7-19)20-8-4-5-9-22(20)34-24/h1-11,16H,12-15,17H2