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

Systemtic Name: 2-[3-(4-bromanylphenoxy)-2-oxidanyl-propyl]phthalazin-1-one Openeye Name: 2-[3-(4-bromophenoxy)-2-hydroxy-propyl]phthalazin-1-one CAS Name: 2-[3-(4-bromophenoxy)-2-hydroxypropyl]-1-phthalazinone IUPAC Name: 2-[3-(4-bromophenoxy)-2-hydroxypropyl]phthalazin-1-one Traditional Name: 2-[3-(4-bromophenoxy)-2-hydroxy-propyl]phthalazin-1-one Formula: C17H15BrN2O3 MolecularWeight: 375.2166

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=NN(C2=O)CC(COC3=CC=C(C=C3)Br)O

Isomeric SMILES

C1=CC=C2C(=C1)C=NN(C2=O)CC(COC3=CC=C(C=C3)Br)O

InChI

InChI=1S/C17H15BrN2O3/c18-13-5-7-15(8-6-13)23-11-14(21)10-20-17(22)16-4-2-1-3-12(16)9-19-20/h1-9,14,21H,10-11H2