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

Systemtic Name: 4-[[3-(4-butylpiperazin-1-yl)carbonyl-4-fluoranyl-phenyl]methyl]-2H-phthalazin-1-one Openeye Name: 4-[[3-(4-butylpiperazine-1-carbonyl)-4-fluoro-phenyl]methyl]-2H-phthalazin-1-one CAS Name: 4-[[3-[(4-butyl-1-piperazinyl)-oxomethyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one IUPAC Name: 4-[[3-(4-butylpiperazine-1-carbonyl)-4-fluorophenyl]methyl]-2H-phthalazin-1-one Traditional Name: 4-[3-(4-butylpiperazine-1-carbonyl)-4-fluoro-benzyl]-2H-phthalazin-1-one Formula: C24H27FN4O2 MolecularWeight: 422.495183

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCN(CC1)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F

Isomeric SMILES

CCCCN1CCN(CC1)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F

InChI

InChI=1S/C24H27FN4O2/c1-2-3-10-28-11-13-29(14-12-28)24(31)20-15-17(8-9-21(20)25)16-22-18-6-4-5-7-19(18)23(30)27-26-22/h4-9,15H,2-3,10-14,16H2,1H3,(H,27,30)