4-[4-(5-chloranyl-2-fluoranyl-phenyl)carbonylpiperazin-1-yl]carbonyl-2H-phthalazin-1-one

Systemtic Name: 4-[4-(5-chloranyl-2-fluoranyl-phenyl)carbonylpiperazin-1-yl]carbonyl-2H-phthalazin-1-one Openeye Name: 4-[4-(5-chloro-2-fluoro-benzoyl)piperazine-1-carbonyl]-2H-phthalazin-1-one CAS Name: 4-[[4-[(5-chloro-2-fluorophenyl)-oxomethyl]-1-piperazinyl]-oxomethyl]-2H-phthalazin-1-one IUPAC Name: 4-[4-(5-chloro-2-fluorobenzoyl)piperazine-1-carbonyl]-2H-phthalazin-1-one Traditional Name: 4-[4-(5-chloro-2-fluoro-benzoyl)piperazine-1-carbonyl]-2H-phthalazin-1-one Formula: C20H16ClFN4O3 MolecularWeight: 414.817443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=C(C=CC(=C2)Cl)F)C(=O)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

C1CN(CCN1C(=O)C2=C(C=CC(=C2)Cl)F)C(=O)C3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C20H16ClFN4O3/c21-12-5-6-16(22)15(11-12)19(28)25-7-9-26(10-8-25)20(29)17-13-3-1-2-4-14(13)18(27)24-23-17/h1-6,11H,7-10H2,(H,24,27)