4-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-yl]carbonyl-2H-phthalazin-1-one

Systemtic Name: 4-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-yl]carbonyl-2H-phthalazin-1-one Openeye Name: 4-[4-[(2-chloro-6-fluoro-phenyl)methyl]piperazine-1-carbonyl]-2H-phthalazin-1-one CAS Name: 4-[[4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazinyl]-oxomethyl]-2H-phthalazin-1-one IUPAC Name: 4-[4-[(2-chloro-6-fluorophenyl)methyl]piperazine-1-carbonyl]-2H-phthalazin-1-one Traditional Name: 4-[4-(2-chloro-6-fluoro-benzyl)piperazine-1-carbonyl]-2H-phthalazin-1-one Formula: C20H18ClFN4O2 MolecularWeight: 400.833923

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=C(C=CC=C2Cl)F)C(=O)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

C1CN(CCN1CC2=C(C=CC=C2Cl)F)C(=O)C3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C20H18ClFN4O2/c21-16-6-3-7-17(22)15(16)12-25-8-10-26(11-9-25)20(28)18-13-4-1-2-5-14(13)19(27)24-23-18/h1-7H,8-12H2,(H,24,27)