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

Systemtic Name: 4-methyl-2-[(2R)-2-oxidanyl-3-(2,3,6-trimethylphenoxy)propyl]phthalazin-1-one Openeye Name: 2-[(2R)-2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]-4-methyl-phthalazin-1-one CAS Name: 2-[(2R)-2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]-4-methyl-1-phthalazinone IUPAC Name: 2-[(2R)-2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]-4-methylphthalazin-1-one Traditional Name: 2-[(2R)-2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]-4-methyl-phthalazin-1-one Formula: C21H24N2O3 MolecularWeight: 352.42686

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)C)O)C

Isomeric SMILES

CC1=C(C(=C(C=C1)C)OC[C@@H](CN2C(=O)C3=CC=CC=C3C(=N2)C)O)C

InChI

InChI=1S/C21H24N2O3/c1-13-9-10-14(2)20(15(13)3)26-12-17(24)11-23-21(25)19-8-6-5-7-18(19)16(4)22-23/h5-10,17,24H,11-12H2,1-4H3/t17-/m1/s1