2-[3-(3-ethylphenoxy)-2-oxidanyl-propyl]-4-(4-fluorophenyl)phthalazin-1-one

Systemtic Name: 2-[3-(3-ethylphenoxy)-2-oxidanyl-propyl]-4-(4-fluorophenyl)phthalazin-1-one Openeye Name: 2-[3-(3-ethylphenoxy)-2-hydroxy-propyl]-4-(4-fluorophenyl)phthalazin-1-one CAS Name: 2-[3-(3-ethylphenoxy)-2-hydroxypropyl]-4-(4-fluorophenyl)-1-phthalazinone IUPAC Name: 2-[3-(3-ethylphenoxy)-2-hydroxypropyl]-4-(4-fluorophenyl)phthalazin-1-one Traditional Name: 2-[3-(3-ethylphenoxy)-2-hydroxy-propyl]-4-(4-fluorophenyl)phthalazin-1-one Formula: C25H23FN2O3 MolecularWeight: 418.460123

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)OCC(CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=C(C=C4)F)O

Isomeric SMILES

CCC1=CC(=CC=C1)OCC(CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=C(C=C4)F)O

InChI

InChI=1S/C25H23FN2O3/c1-2-17-6-5-7-21(14-17)31-16-20(29)15-28-25(30)23-9-4-3-8-22(23)24(27-28)18-10-12-19(26)13-11-18/h3-14,20,29H,2,15-16H2,1H3