4-[[3-[4-(4-chloranylphenoxy)piperidin-1-yl]carbonyl-4-fluoranyl-phenyl]methyl]-2H-phthalazin-1-one

Systemtic Name: 4-[[3-[4-(4-chloranylphenoxy)piperidin-1-yl]carbonyl-4-fluoranyl-phenyl]methyl]-2H-phthalazin-1-one Openeye Name: 4-[[3-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-4-fluoro-phenyl]methyl]-2H-phthalazin-1-one CAS Name: 4-[[3-[[4-(4-chlorophenoxy)-1-piperidinyl]-oxomethyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one IUPAC Name: 4-[[3-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one Traditional Name: 4-[3-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-4-fluoro-benzyl]-2H-phthalazin-1-one Formula: C27H23ClFN3O3 MolecularWeight: 491.941223

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC2=CC=C(C=C2)Cl)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F

Isomeric SMILES

C1CN(CCC1OC2=CC=C(C=C2)Cl)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F

InChI

InChI=1S/C27H23ClFN3O3/c28-18-6-8-19(9-7-18)35-20-11-13-32(14-12-20)27(34)23-15-17(5-10-24(23)29)16-25-21-3-1-2-4-22(21)26(33)31-30-25/h1-10,15,20H,11-14,16H2,(H,31,33)