2-[[2-(4-fluoranylphenoxy)ethyl-[(1-oxidanylidenephthalazin-2-yl)methyl]amino]methyl]phthalazin-1-one

Systemtic Name: 2-[[2-(4-fluoranylphenoxy)ethyl-[(1-oxidanylidenephthalazin-2-yl)methyl]amino]methyl]phthalazin-1-one Openeye Name: 2-[[2-(4-fluorophenoxy)ethyl-[(1-oxophthalazin-2-yl)methyl]amino]methyl]phthalazin-1-one CAS Name: 2-[[2-(4-fluorophenoxy)ethyl-[(1-oxo-2-phthalazinyl)methyl]amino]methyl]-1-phthalazinone IUPAC Name: 2-[[2-(4-fluorophenoxy)ethyl-[(1-oxophthalazin-2-yl)methyl]amino]methyl]phthalazin-1-one Traditional Name: 2-[[2-(4-fluorophenoxy)ethyl-[(1-ketophthalazin-2-yl)methyl]amino]methyl]phthalazin-1-one Formula: C26H22FN5O3 MolecularWeight: 471.482983

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=NN(C2=O)CN(CCOC3=CC=C(C=C3)F)CN4C(=O)C5=CC=CC=C5C=N4

Isomeric SMILES

C1=CC=C2C(=C1)C=NN(C2=O)CN(CCOC3=CC=C(C=C3)F)CN4C(=O)C5=CC=CC=C5C=N4

InChI

InChI=1S/C26H22FN5O3/c27-21-9-11-22(12-10-21)35-14-13-30(17-31-25(33)23-7-3-1-5-19(23)15-28-31)18-32-26(34)24-8-4-2-6-20(24)16-29-32/h1-12,15-16H,13-14,17-18H2