4-[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]carbonyl-2H-phthalazin-1-one

Systemtic Name: 4-[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]carbonyl-2H-phthalazin-1-one Openeye Name: 4-[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-2H-phthalazin-1-one CAS Name: 4-[[(2R)-2-(3,4-dimethoxyphenyl)-1-pyrrolidinyl]-oxomethyl]-2H-phthalazin-1-one IUPAC Name: 4-[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-2H-phthalazin-1-one Traditional Name: 4-[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-2H-phthalazin-1-one Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4/c1-27-17-10-9-13(12-18(17)28-2)16-8-5-11-24(16)21(26)19-14-6-3-4-7-15(14)20(25)23-22-19/h3-4,6-7,9-10,12,16H,5,8,11H2,1-2H3,(H,23,25)/t16-/m1/s1