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

Systemtic Name: 4-(4-methylphenyl)-2-[2-oxidanyl-3-(2-propan-2-ylphenoxy)propyl]phthalazin-1-one Openeye Name: 2-[2-hydroxy-3-(2-isopropylphenoxy)propyl]-4-(p-tolyl)phthalazin-1-one CAS Name: 2-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-4-(4-methylphenyl)-1-phthalazinone IUPAC Name: 2-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-4-(4-methylphenyl)phthalazin-1-one Traditional Name: 2-[2-hydroxy-3-(2-isopropylphenoxy)propyl]-4-(p-tolyl)phthalazin-1-one Formula: C27H28N2O3 MolecularWeight: 428.52282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CC(COC4=CC=CC=C4C(C)C)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CC(COC4=CC=CC=C4C(C)C)O

InChI

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