2-[3-(4-tert-butyl-2-methyl-phenoxy)-2-oxidanyl-propyl]-4-methyl-phthalazin-1-one

Systemtic Name: 2-[3-(4-tert-butyl-2-methyl-phenoxy)-2-oxidanyl-propyl]-4-methyl-phthalazin-1-one Openeye Name: 2-[3-(4-tert-butyl-2-methyl-phenoxy)-2-hydroxy-propyl]-4-methyl-phthalazin-1-one CAS Name: 2-[3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-4-methyl-1-phthalazinone IUPAC Name: 2-[3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-4-methylphthalazin-1-one Traditional Name: 2-[3-(4-tert-butyl-2-methyl-phenoxy)-2-hydroxy-propyl]-4-methyl-phthalazin-1-one Formula: C23H28N2O3 MolecularWeight: 380.48002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(C)(C)C)OCC(CN2C(=O)C3=CC=CC=C3C(=N2)C)O

Isomeric SMILES

CC1=C(C=CC(=C1)C(C)(C)C)OCC(CN2C(=O)C3=CC=CC=C3C(=N2)C)O

InChI

InChI=1S/C23H28N2O3/c1-15-12-17(23(3,4)5)10-11-21(15)28-14-18(26)13-25-22(27)20-9-7-6-8-19(20)16(2)24-25/h6-12,18,26H,13-14H2,1-5H3