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

Systemtic Name: 4-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]carbonyl-2-phenyl-phthalazin-1-one Openeye Name: 4-[4-[(2,5-dimethoxyphenyl)methyl]piperazine-1-carbonyl]-2-phenyl-phthalazin-1-one CAS Name: 4-[[4-[(2,5-dimethoxyphenyl)methyl]-1-piperazinyl]-oxomethyl]-2-phenyl-1-phthalazinone IUPAC Name: 4-[4-[(2,5-dimethoxyphenyl)methyl]piperazine-1-carbonyl]-2-phenylphthalazin-1-one Traditional Name: 4-[4-(2,5-dimethoxybenzyl)piperazine-1-carbonyl]-2-phenyl-phthalazin-1-one Formula: C28H28N4O4 MolecularWeight: 484.54632

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CN2CCN(CC2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CN2CCN(CC2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C28H28N4O4/c1-35-22-12-13-25(36-2)20(18-22)19-30-14-16-31(17-15-30)28(34)26-23-10-6-7-11-24(23)27(33)32(29-26)21-8-4-3-5-9-21/h3-13,18H,14-17,19H2,1-2H3