4-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]carbonyl-2-phenyl-phthalazin-1-one

Systemtic Name: 4-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]carbonyl-2-phenyl-phthalazin-1-one Openeye Name: 4-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-2-phenyl-phthalazin-1-one CAS Name: 4-[[(2R)-2-(2,4-dimethoxyphenyl)-1-pyrrolidinyl]-oxomethyl]-2-phenyl-1-phthalazinone IUPAC Name: 4-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-2-phenylphthalazin-1-one Traditional Name: 4-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-2-phenyl-phthalazin-1-one Formula: C27H25N3O4 MolecularWeight: 455.5051

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2CCCN2C(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=CC(=C(C=C1)[C@H]2CCCN2C(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5)OC

InChI

InChI=1S/C27H25N3O4/c1-33-19-14-15-22(24(17-19)34-2)23-13-8-16-29(23)27(32)25-20-11-6-7-12-21(20)26(31)30(28-25)18-9-4-3-5-10-18/h3-7,9-12,14-15,17,23H,8,13,16H2,1-2H3/t23-/m1/s1