2-[2-oxidanyl-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propyl]phthalazin-1-one

Systemtic Name: 2-[2-oxidanyl-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propyl]phthalazin-1-one Openeye Name: 2-[2-hydroxy-3-[4-(1,1,3,3-tetramethylbutyl)phenoxy]propyl]phthalazin-1-one CAS Name: 2-[2-hydroxy-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propyl]-1-phthalazinone IUPAC Name: 2-[2-hydroxy-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propyl]phthalazin-1-one Traditional Name: 2-[2-hydroxy-3-[4-(1,1,3,3-tetramethylbutyl)phenoxy]propyl]phthalazin-1-one Formula: C25H32N2O3 MolecularWeight: 408.53318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2O3/c1-24(2,3)17-25(4,5)19-10-12-21(13-11-19)30-16-20(28)15-27-23(29)22-9-7-6-8-18(22)14-26-27/h6-14,20,28H,15-17H2,1-5H3