3-[2-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-2H-phthalazine-1,4-dione

Systemtic Name: 3-[2-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-2H-phthalazine-1,4-dione Openeye Name: 3-[2-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxo-ethyl]-2H-phthalazine-1,4-dione CAS Name: 3-[2-[2-(3,4-dimethoxyphenyl)-1-pyrrolidinyl]-2-oxoethyl]-2H-phthalazine-1,4-dione IUPAC Name: 3-[2-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-2H-phthalazine-1,4-dione Traditional Name: 3-[2-[2-(3,4-dimethoxyphenyl)pyrrolidino]-2-keto-ethyl]-2H-phthalazine-1,4-quinone Formula: C22H23N3O5 MolecularWeight: 409.43512

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CCCN2C(=O)CN3C(=O)C4=CC=CC=C4C(=O)N3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2CCCN2C(=O)CN3C(=O)C4=CC=CC=C4C(=O)N3)OC

InChI

InChI=1S/C22H23N3O5/c1-29-18-10-9-14(12-19(18)30-2)17-8-5-11-24(17)20(26)13-25-22(28)16-7-4-3-6-15(16)21(27)23-25/h3-4,6-7,9-10,12,17H,5,8,11,13H2,1-2H3,(H,23,27)