2-[2-oxidanyl-3-(2,3,6-trimethylphenoxy)propyl]-4-phenyl-phthalazin-1-one

Systemtic Name: 2-[2-oxidanyl-3-(2,3,6-trimethylphenoxy)propyl]-4-phenyl-phthalazin-1-one Openeye Name: 2-[2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]-4-phenyl-phthalazin-1-one CAS Name: 2-[2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]-4-phenyl-1-phthalazinone IUPAC Name: 2-[2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]-4-phenylphthalazin-1-one Traditional Name: 2-[2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]-4-phenyl-phthalazin-1-one Formula: C26H26N2O3 MolecularWeight: 414.49624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C)OCC(CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CC=C4)O)C

Isomeric SMILES

CC1=C(C(=C(C=C1)C)OCC(CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CC=C4)O)C

InChI

InChI=1S/C26H26N2O3/c1-17-13-14-18(2)25(19(17)3)31-16-21(29)15-28-26(30)23-12-8-7-11-22(23)24(27-28)20-9-5-4-6-10-20/h4-14,21,29H,15-16H2,1-3H3