4-[[4-[4-(3-fluorophenyl)carbonylpiperazin-1-yl]carbonylpyridin-2-yl]methyl]-2H-phthalazin-1-one

Systemtic Name: 4-[[4-[4-(3-fluorophenyl)carbonylpiperazin-1-yl]carbonylpyridin-2-yl]methyl]-2H-phthalazin-1-one Openeye Name: 4-[[4-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]-2-pyridyl]methyl]-2H-phthalazin-1-one CAS Name: 4-[[4-[[4-[(3-fluorophenyl)-oxomethyl]-1-piperazinyl]-oxomethyl]-2-pyridinyl]methyl]-2H-phthalazin-1-one IUPAC Name: 4-[[4-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]pyridin-2-yl]methyl]-2H-phthalazin-1-one Traditional Name: 4-[[4-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]-2-pyridyl]methyl]-2H-phthalazin-1-one Formula: C26H22FN5O3 MolecularWeight: 471.482983

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC(=CC=C2)F)C(=O)C3=CC(=NC=C3)CC4=NNC(=O)C5=CC=CC=C54

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC(=CC=C2)F)C(=O)C3=CC(=NC=C3)CC4=NNC(=O)C5=CC=CC=C54

InChI

InChI=1S/C26H22FN5O3/c27-19-5-3-4-17(14-19)25(34)31-10-12-32(13-11-31)26(35)18-8-9-28-20(15-18)16-23-21-6-1-2-7-22(21)24(33)30-29-23/h1-9,14-15H,10-13,16H2,(H,30,33)