5-[(3,5-dimethylphenyl)methoxy]-2-[[4-(5-nitrofuran-2-yl)carbonylpiperazin-1-yl]methyl]pyran-4-one

Systemtic Name: 5-[(3,5-dimethylphenyl)methoxy]-2-[[4-(5-nitrofuran-2-yl)carbonylpiperazin-1-yl]methyl]pyran-4-one Openeye Name: 5-[(3,5-dimethylphenyl)methoxy]-2-[[4-(5-nitrofuran-2-carbonyl)piperazin-1-yl]methyl]pyran-4-one CAS Name: 5-[(3,5-dimethylphenyl)methoxy]-2-[[4-[(5-nitro-2-furanyl)-oxomethyl]-1-piperazinyl]methyl]-4-pyranone IUPAC Name: 5-[(3,5-dimethylphenyl)methoxy]-2-[[4-(5-nitrofuran-2-carbonyl)piperazin-1-yl]methyl]pyran-4-one Traditional Name: 5-(3,5-dimethylbenzyl)oxy-2-[[4-(5-nitro-2-furoyl)piperazino]methyl]pyran-4-one Formula: C24H25N3O7 MolecularWeight: 467.4712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)COC2=COC(=CC2=O)CN3CCN(CC3)C(=O)C4=CC=C(O4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)COC2=COC(=CC2=O)CN3CCN(CC3)C(=O)C4=CC=C(O4)[N+](=O)[O-])C

InChI

InChI=1S/C24H25N3O7/c1-16-9-17(2)11-18(10-16)14-33-22-15-32-19(12-20(22)28)13-25-5-7-26(8-6-25)24(29)21-3-4-23(34-21)27(30)31/h3-4,9-12,15H,5-8,13-14H2,1-2H3