2-(3,5-dimethoxyphenyl)-4-(4-phenylpiperazin-1-yl)carbonyl-phthalazin-1-one

Systemtic Name: 2-(3,5-dimethoxyphenyl)-4-(4-phenylpiperazin-1-yl)carbonyl-phthalazin-1-one Openeye Name: 2-(3,5-dimethoxyphenyl)-4-(4-phenylpiperazine-1-carbonyl)phthalazin-1-one CAS Name: 2-(3,5-dimethoxyphenyl)-4-[oxo-(4-phenyl-1-piperazinyl)methyl]-1-phthalazinone IUPAC Name: 2-(3,5-dimethoxyphenyl)-4-(4-phenylpiperazine-1-carbonyl)phthalazin-1-one Traditional Name: 2-(3,5-dimethoxyphenyl)-4-(4-phenylpiperazine-1-carbonyl)phthalazin-1-one Formula: C27H26N4O4 MolecularWeight: 470.51974

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H26N4O4/c1-34-21-16-20(17-22(18-21)35-2)31-26(32)24-11-7-6-10-23(24)25(28-31)27(33)30-14-12-29(13-15-30)19-8-4-3-5-9-19/h3-11,16-18H,12-15H2,1-2H3