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

Systemtic Name: 4-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]carbonyl-2-(phenylmethyl)phthalazin-1-one Openeye Name: 2-benzyl-4-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]phthalazin-1-one CAS Name: 4-[[(2R)-2-(2,4-dimethoxyphenyl)-1-pyrrolidinyl]-oxomethyl]-2-(phenylmethyl)-1-phthalazinone IUPAC Name: 2-benzyl-4-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]phthalazin-1-one Traditional Name: 2-benzyl-4-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]phthalazin-1-one Formula: C28H27N3O4 MolecularWeight: 469.53168

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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)CC5=CC=CC=C5)OC

Isomeric SMILES

COC1=CC(=C(C=C1)[C@H]2CCCN2C(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5)OC

InChI

InChI=1S/C28H27N3O4/c1-34-20-14-15-23(25(17-20)35-2)24-13-8-16-30(24)28(33)26-21-11-6-7-12-22(21)27(32)31(29-26)18-19-9-4-3-5-10-19/h3-7,9-12,14-15,17,24H,8,13,16,18H2,1-2H3/t24-/m1/s1