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

Systemtic Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]carbonyl-2-(3,5-dimethoxyphenyl)phthalazin-1-one Openeye Name: 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-(3,5-dimethoxyphenyl)phthalazin-1-one CAS Name: 4-[[4-(3-chlorophenyl)-1-piperazinyl]-oxomethyl]-2-(3,5-dimethoxyphenyl)-1-phthalazinone IUPAC Name: 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-(3,5-dimethoxyphenyl)phthalazin-1-one Traditional Name: 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-(3,5-dimethoxyphenyl)phthalazin-1-one Formula: C27H25ClN4O4 MolecularWeight: 504.9648

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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(=CC=C5)Cl)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H25ClN4O4/c1-35-21-15-20(16-22(17-21)36-2)32-26(33)24-9-4-3-8-23(24)25(29-32)27(34)31-12-10-30(11-13-31)19-7-5-6-18(28)14-19/h3-9,14-17H,10-13H2,1-2H3