1-[[2,4-bis(oxidanyl)-5-[(2-oxidanylideneazepan-1-yl)methyl]phenyl]methyl]azepan-2-one

Systemtic Name: 1-[[2,4-bis(oxidanyl)-5-[(2-oxidanylideneazepan-1-yl)methyl]phenyl]methyl]azepan-2-one Openeye Name: 1-[[2,4-dihydroxy-5-[(2-oxoazepan-1-yl)methyl]phenyl]methyl]azepan-2-one CAS Name: 1-[[2,4-dihydroxy-5-[(2-oxo-1-azepanyl)methyl]phenyl]methyl]-2-azepanone IUPAC Name: 1-[[2,4-dihydroxy-5-[(2-oxoazepan-1-yl)methyl]phenyl]methyl]azepan-2-one Traditional Name: 1-[2,4-dihydroxy-5-[(2-ketoazepan-1-yl)methyl]benzyl]azepan-2-one Formula: C20H28N2O4 MolecularWeight: 360.44732

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CC2=CC(=C(C=C2O)O)CN3CCCCCC3=O

Isomeric SMILES

C1CCC(=O)N(CC1)CC2=CC(=C(C=C2O)O)CN3CCCCCC3=O

InChI

InChI=1S/C20H28N2O4/c23-17-12-18(24)16(14-22-10-6-2-4-8-20(22)26)11-15(17)13-21-9-5-1-3-7-19(21)25/h11-12,23-24H,1-10,13-14H2