4-(4-methylphenyl)-2-[(2S)-3-naphthalen-2-yloxy-2-oxidanyl-propyl]phthalazin-1-one

Systemtic Name: 4-(4-methylphenyl)-2-[(2S)-3-naphthalen-2-yloxy-2-oxidanyl-propyl]phthalazin-1-one Openeye Name: 2-[(2S)-2-hydroxy-3-(2-naphthyloxy)propyl]-4-(p-tolyl)phthalazin-1-one CAS Name: 2-[(2S)-2-hydroxy-3-(2-naphthalenyloxy)propyl]-4-(4-methylphenyl)-1-phthalazinone IUPAC Name: 2-[(2S)-2-hydroxy-3-naphthalen-2-yloxypropyl]-4-(4-methylphenyl)phthalazin-1-one Traditional Name: 2-[(2S)-2-hydroxy-3-(2-naphthoxy)propyl]-4-(p-tolyl)phthalazin-1-one Formula: C28H24N2O3 MolecularWeight: 436.50176

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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=CC5=CC=CC=C5C=C4)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C[C@@H](COC4=CC5=CC=CC=C5C=C4)O

InChI

InChI=1S/C28H24N2O3/c1-19-10-12-21(13-11-19)27-25-8-4-5-9-26(25)28(32)30(29-27)17-23(31)18-33-24-15-14-20-6-2-3-7-22(20)16-24/h2-16,23,31H,17-18H2,1H3/t23-/m0/s1