2-[1-(3,5-dimethoxyphenyl)-3-imidazol-1-yl-3-oxidanylidene-propyl]isoindole-1,3-dione

Systemtic Name: 2-[1-(3,5-dimethoxyphenyl)-3-imidazol-1-yl-3-oxidanylidene-propyl]isoindole-1,3-dione Openeye Name: 2-[1-(3,5-dimethoxyphenyl)-3-imidazol-1-yl-3-oxo-propyl]isoindoline-1,3-dione CAS Name: 2-[1-(3,5-dimethoxyphenyl)-3-(1-imidazolyl)-3-oxopropyl]isoindole-1,3-dione IUPAC Name: 2-[1-(3,5-dimethoxyphenyl)-3-imidazol-1-yl-3-oxopropyl]isoindole-1,3-dione Traditional Name: 2-[1-(3,5-dimethoxyphenyl)-3-imidazol-1-yl-3-keto-propyl]isoindoline-1,3-quinone Formula: C22H19N3O5 MolecularWeight: 405.40336

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(CC(=O)N2C=CN=C2)N3C(=O)C4=CC=CC=C4C3=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(CC(=O)N2C=CN=C2)N3C(=O)C4=CC=CC=C4C3=O)OC

InChI

InChI=1S/C22H19N3O5/c1-29-15-9-14(10-16(11-15)30-2)19(12-20(26)24-8-7-23-13-24)25-21(27)17-5-3-4-6-18(17)22(25)28/h3-11,13,19H,12H2,1-2H3