2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-[(3-nitrophenyl)methoxy]pyran-4-one

Systemtic Name: 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-[(3-nitrophenyl)methoxy]pyran-4-one Openeye Name: 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-[(3-nitrophenyl)methoxy]pyran-4-one CAS Name: 2-[[4-(2-methoxyphenyl)-1-piperazinyl]methyl]-5-[(3-nitrophenyl)methoxy]-4-pyranone IUPAC Name: 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-[(3-nitrophenyl)methoxy]pyran-4-one Traditional Name: 2-[[4-(2-methoxyphenyl)piperazino]methyl]-5-(3-nitrobenzyl)oxy-pyran-4-one Formula: C24H25N3O6 MolecularWeight: 451.4718

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CC3=CC(=O)C(=CO3)OCC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CC3=CC(=O)C(=CO3)OCC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H25N3O6/c1-31-23-8-3-2-7-21(23)26-11-9-25(10-12-26)15-20-14-22(28)24(17-32-20)33-16-18-5-4-6-19(13-18)27(29)30/h2-8,13-14,17H,9-12,15-16H2,1H3