4-[[3-[2-[(2-methylpropan-2-yl)oxymethyl]phenyl]phenyl]methyl]-2H-phthalazin-1-one

Systemtic Name: 4-[[3-[2-[(2-methylpropan-2-yl)oxymethyl]phenyl]phenyl]methyl]-2H-phthalazin-1-one Openeye Name: 4-[[3-[2-(tert-butoxymethyl)phenyl]phenyl]methyl]-2H-phthalazin-1-one CAS Name: 4-[[3-[2-[(2-methylpropan-2-yl)oxymethyl]phenyl]phenyl]methyl]-2H-phthalazin-1-one IUPAC Name: 4-[[3-[2-[(2-methylpropan-2-yl)oxymethyl]phenyl]phenyl]methyl]-2H-phthalazin-1-one Traditional Name: 4-[3-[2-(tert-butoxymethyl)phenyl]benzyl]-2H-phthalazin-1-one Formula: C26H26N2O2 MolecularWeight: 398.49684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OCC1=CC=CC=C1C2=CC(=CC=C2)CC3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

CC(C)(C)OCC1=CC=CC=C1C2=CC(=CC=C2)CC3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C26H26N2O2/c1-26(2,3)30-17-20-10-4-5-12-21(20)19-11-8-9-18(15-19)16-24-22-13-6-7-14-23(22)25(29)28-27-24/h4-15H,16-17H2,1-3H3,(H,28,29)