2-[2-(4-chlorophenyl)-2-oxidanyl-ethyl]-4-(4-fluorophenyl)phthalazin-1-one

Systemtic Name: 2-[2-(4-chlorophenyl)-2-oxidanyl-ethyl]-4-(4-fluorophenyl)phthalazin-1-one Openeye Name: 2-[2-(4-chlorophenyl)-2-hydroxy-ethyl]-4-(4-fluorophenyl)phthalazin-1-one CAS Name: 2-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-(4-fluorophenyl)-1-phthalazinone IUPAC Name: 2-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-(4-fluorophenyl)phthalazin-1-one Traditional Name: 2-[2-(4-chlorophenyl)-2-hydroxy-ethyl]-4-(4-fluorophenyl)phthalazin-1-one Formula: C22H16ClFN2O2 MolecularWeight: 394.826043

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC(C3=CC=C(C=C3)Cl)O)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC(C3=CC=C(C=C3)Cl)O)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H16ClFN2O2/c23-16-9-5-14(6-10-16)20(27)13-26-22(28)19-4-2-1-3-18(19)21(25-26)15-7-11-17(24)12-8-15/h1-12,20,27H,13H2