2-(2,4-dimethoxyphenyl)-4-[4-(2-fluorophenyl)piperazin-1-yl]carbonyl-phthalazin-1-one

Systemtic Name: 2-(2,4-dimethoxyphenyl)-4-[4-(2-fluorophenyl)piperazin-1-yl]carbonyl-phthalazin-1-one Openeye Name: 2-(2,4-dimethoxyphenyl)-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phthalazin-1-one CAS Name: 2-(2,4-dimethoxyphenyl)-4-[[4-(2-fluorophenyl)-1-piperazinyl]-oxomethyl]-1-phthalazinone IUPAC Name: 2-(2,4-dimethoxyphenyl)-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phthalazin-1-one Traditional Name: 2-(2,4-dimethoxyphenyl)-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phthalazin-1-one Formula: C27H25FN4O4 MolecularWeight: 488.510203

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)N4CCN(CC4)C5=CC=CC=C5F)OC

Isomeric SMILES

COC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)N4CCN(CC4)C5=CC=CC=C5F)OC

InChI

InChI=1S/C27H25FN4O4/c1-35-18-11-12-23(24(17-18)36-2)32-26(33)20-8-4-3-7-19(20)25(29-32)27(34)31-15-13-30(14-16-31)22-10-6-5-9-21(22)28/h3-12,17H,13-16H2,1-2H3