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

Systemtic Name: 3-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-2H-phthalazine-1,4-dione Openeye Name: 3-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxo-ethyl]-2H-phthalazine-1,4-dione CAS Name: 3-[2-[2-(4-methoxyphenyl)-1-pyrrolidinyl]-2-oxoethyl]-2H-phthalazine-1,4-dione IUPAC Name: 3-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-2H-phthalazine-1,4-dione Traditional Name: 3-[2-keto-2-[2-(4-methoxyphenyl)pyrrolidino]ethyl]-2H-phthalazine-1,4-quinone Formula: C21H21N3O4 MolecularWeight: 379.40914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4/c1-28-15-10-8-14(9-11-15)18-7-4-12-23(18)19(25)13-24-21(27)17-6-3-2-5-16(17)20(26)22-24/h2-3,5-6,8-11,18H,4,7,12-13H2,1H3,(H,22,26)