2-[3-(4-bromanylphenoxy)-2-oxidanyl-propyl]-4-phenyl-phthalazin-1-one

Systemtic Name: 2-[3-(4-bromanylphenoxy)-2-oxidanyl-propyl]-4-phenyl-phthalazin-1-one Openeye Name: 2-[3-(4-bromophenoxy)-2-hydroxy-propyl]-4-phenyl-phthalazin-1-one CAS Name: 2-[3-(4-bromophenoxy)-2-hydroxypropyl]-4-phenyl-1-phthalazinone IUPAC Name: 2-[3-(4-bromophenoxy)-2-hydroxypropyl]-4-phenylphthalazin-1-one Traditional Name: 2-[3-(4-bromophenoxy)-2-hydroxy-propyl]-4-phenyl-phthalazin-1-one Formula: C23H19BrN2O3 MolecularWeight: 451.31256

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CC(COC4=CC=C(C=C4)Br)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CC(COC4=CC=C(C=C4)Br)O

InChI

InChI=1S/C23H19BrN2O3/c24-17-10-12-19(13-11-17)29-15-18(27)14-26-23(28)21-9-5-4-8-20(21)22(25-26)16-6-2-1-3-7-16/h1-13,18,27H,14-15H2