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

Systemtic Name: 8-[2-[[4-(4,4-dimethyl-3-oxidanyl-1-oxidanylidene-3H-isoquinolin-2-yl)-2-methyl-butan-2-yl]amino]-1-oxidanyl-ethyl]-6-oxidanyl-4H-1,4-benzoxazin-3-one Openeye Name: 6-hydroxy-8-[1-hydroxy-2-[[3-(3-hydroxy-4,4-dimethyl-1-oxo-3H-isoquinolin-2-yl)-1,1-dimethyl-propyl]amino]ethyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-hydroxy-8-[1-hydroxy-2-[[4-(3-hydroxy-4,4-dimethyl-1-oxo-3H-isoquinolin-2-yl)-2-methylbutan-2-yl]amino]ethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-hydroxy-8-[1-hydroxy-2-[[4-(3-hydroxy-4,4-dimethyl-1-oxo-3H-isoquinolin-2-yl)-2-methylbutan-2-yl]amino]ethyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-hydroxy-8-[1-hydroxy-2-[[3-(3-hydroxy-1-keto-4,4-dimethyl-3H-isoquinolin-2-yl)-1,1-dimethyl-propyl]amino]ethyl]-4H-1,4-benzoxazin-3-one Formula: C26H33N3O6 MolecularWeight: 483.55672

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(C(=O)C2=CC=CC=C21)CCC(C)(C)NCC(C3=CC(=CC4=C3OCC(=O)N4)O)O)O)C

Isomeric SMILES

CC1(C(N(C(=O)C2=CC=CC=C21)CCC(C)(C)NCC(C3=CC(=CC4=C3OCC(=O)N4)O)O)O)C

InChI

InChI=1S/C26H33N3O6/c1-25(2,9-10-29-23(33)16-7-5-6-8-18(16)26(3,4)24(29)34)27-13-20(31)17-11-15(30)12-19-22(17)35-14-21(32)28-19/h5-8,11-12,20,24,27,30-31,34H,9-10,13-14H2,1-4H3,(H,28,32)