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

Systemtic Name: 2-[3-(4-tert-butylphenoxy)-2-oxidanyl-propyl]phthalazin-1-one Openeye Name: 2-[3-(4-tert-butylphenoxy)-2-hydroxy-propyl]phthalazin-1-one CAS Name: 2-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]-1-phthalazinone IUPAC Name: 2-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]phthalazin-1-one Traditional Name: 2-[3-(4-tert-butylphenoxy)-2-hydroxy-propyl]phthalazin-1-one Formula: C21H24N2O3 MolecularWeight: 352.42686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC(CN2C(=O)C3=CC=CC=C3C=N2)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC(CN2C(=O)C3=CC=CC=C3C=N2)O

InChI

InChI=1S/C21H24N2O3/c1-21(2,3)16-8-10-18(11-9-16)26-14-17(24)13-23-20(25)19-7-5-4-6-15(19)12-22-23/h4-12,17,24H,13-14H2,1-3H3