2-(3,5-dimethoxyphenyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]carbonyl-phthalazin-1-one

Systemtic Name: 2-(3,5-dimethoxyphenyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]carbonyl-phthalazin-1-one Openeye Name: 2-(3,5-dimethoxyphenyl)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phthalazin-1-one CAS Name: 2-(3,5-dimethoxyphenyl)-4-[[4-(4-fluorophenyl)-1-piperazinyl]-oxomethyl]-1-phthalazinone IUPAC Name: 2-(3,5-dimethoxyphenyl)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phthalazin-1-one Traditional Name: 2-(3,5-dimethoxyphenyl)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phthalazin-1-one Formula: C27H25FN4O4 MolecularWeight: 488.510203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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