4-methyl-2-[2-oxidanyl-3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]phthalazin-1-one

Systemtic Name: 4-methyl-2-[2-oxidanyl-3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]phthalazin-1-one Openeye Name: 2-[2-hydroxy-3-[4-(1-methyl-1-phenyl-ethyl)phenoxy]propyl]-4-methyl-phthalazin-1-one CAS Name: 2-[2-hydroxy-3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]-4-methyl-1-phthalazinone IUPAC Name: 2-[2-hydroxy-3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]-4-methylphthalazin-1-one Traditional Name: 2-[3-(4-cumylphenoxy)-2-hydroxy-propyl]-4-methyl-phthalazin-1-one Formula: C27H28N2O3 MolecularWeight: 428.52282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C2=CC=CC=C12)CC(COC3=CC=C(C=C3)C(C)(C)C4=CC=CC=C4)O

Isomeric SMILES

CC1=NN(C(=O)C2=CC=CC=C12)CC(COC3=CC=C(C=C3)C(C)(C)C4=CC=CC=C4)O

InChI

InChI=1S/C27H28N2O3/c1-19-24-11-7-8-12-25(24)26(31)29(28-19)17-22(30)18-32-23-15-13-21(14-16-23)27(2,3)20-9-5-4-6-10-20/h4-16,22,30H,17-18H2,1-3H3