4-(2,5-dimethylphenyl)-2-[2-(4-fluorophenyl)-2-oxidanyl-ethyl]phthalazin-1-one

Systemtic Name: 4-(2,5-dimethylphenyl)-2-[2-(4-fluorophenyl)-2-oxidanyl-ethyl]phthalazin-1-one Openeye Name: 4-(2,5-dimethylphenyl)-2-[2-(4-fluorophenyl)-2-hydroxy-ethyl]phthalazin-1-one CAS Name: 4-(2,5-dimethylphenyl)-2-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-phthalazinone IUPAC Name: 4-(2,5-dimethylphenyl)-2-[2-(4-fluorophenyl)-2-hydroxyethyl]phthalazin-1-one Traditional Name: 4-(2,5-dimethylphenyl)-2-[2-(4-fluorophenyl)-2-hydroxy-ethyl]phthalazin-1-one Formula: C24H21FN2O2 MolecularWeight: 388.434143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H21FN2O2/c1-15-7-8-16(2)21(13-15)23-19-5-3-4-6-20(19)24(29)27(26-23)14-22(28)17-9-11-18(25)12-10-17/h3-13,22,28H,14H2,1-2H3