8-[2-[[2-methyl-4-(2-oxidanylidene-3H-benzimidazol-1-yl)butan-2-yl]amino]-1-oxidanyl-ethyl]-6-oxidanyl-4H-1,4-benzoxazin-3-one

Systemtic Name: 8-[2-[[2-methyl-4-(2-oxidanylidene-3H-benzimidazol-1-yl)butan-2-yl]amino]-1-oxidanyl-ethyl]-6-oxidanyl-4H-1,4-benzoxazin-3-one Openeye Name: 8-[2-[[1,1-dimethyl-3-(2-oxo-3H-benzimidazol-1-yl)propyl]amino]-1-hydroxy-ethyl]-6-hydroxy-4H-1,4-benzoxazin-3-one CAS Name: 6-hydroxy-8-[1-hydroxy-2-[[2-methyl-4-(2-oxo-3H-benzimidazol-1-yl)butan-2-yl]amino]ethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-hydroxy-8-[1-hydroxy-2-[[2-methyl-4-(2-oxo-3H-benzimidazol-1-yl)butan-2-yl]amino]ethyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-hydroxy-8-[1-hydroxy-2-[[3-(2-keto-3H-benzimidazol-1-yl)-1,1-dimethyl-propyl]amino]ethyl]-4H-1,4-benzoxazin-3-one Formula: C22H26N4O5 MolecularWeight: 426.46564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCN1C2=CC=CC=C2NC1=O)NCC(C3=CC(=CC4=C3OCC(=O)N4)O)O

Isomeric SMILES

CC(C)(CCN1C2=CC=CC=C2NC1=O)NCC(C3=CC(=CC4=C3OCC(=O)N4)O)O

InChI

InChI=1S/C22H26N4O5/c1-22(2,7-8-26-17-6-4-3-5-15(17)25-21(26)30)23-11-18(28)14-9-13(27)10-16-20(14)31-12-19(29)24-16/h3-6,9-10,18,23,27-28H,7-8,11-12H2,1-2H3,(H,24,29)(H,25,30)