2-[3-(4-bromanylphenoxy)-2-oxidanyl-propyl]-4-(4-methylphenyl)phthalazin-1-one

Systemtic Name: 2-[3-(4-bromanylphenoxy)-2-oxidanyl-propyl]-4-(4-methylphenyl)phthalazin-1-one Openeye Name: 2-[3-(4-bromophenoxy)-2-hydroxy-propyl]-4-(p-tolyl)phthalazin-1-one CAS Name: 2-[3-(4-bromophenoxy)-2-hydroxypropyl]-4-(4-methylphenyl)-1-phthalazinone IUPAC Name: 2-[3-(4-bromophenoxy)-2-hydroxypropyl]-4-(4-methylphenyl)phthalazin-1-one Traditional Name: 2-[3-(4-bromophenoxy)-2-hydroxy-propyl]-4-(p-tolyl)phthalazin-1-one Formula: C24H21BrN2O3 MolecularWeight: 465.33914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CC(COC4=CC=C(C=C4)Br)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CC(COC4=CC=C(C=C4)Br)O

InChI

InChI=1S/C24H21BrN2O3/c1-16-6-8-17(9-7-16)23-21-4-2-3-5-22(21)24(29)27(26-23)14-19(28)15-30-20-12-10-18(25)11-13-20/h2-13,19,28H,14-15H2,1H3