2-[3-[4-(4-methyl-6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]propyl]isoindole-1,3-dione

Systemtic Name: 2-[3-[4-(4-methyl-6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]propyl]isoindole-1,3-dione Openeye Name: 2-[3-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]propyl]isoindoline-1,3-dione CAS Name: 2-[3-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]propyl]isoindole-1,3-dione IUPAC Name: 2-[3-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]propyl]isoindole-1,3-dione Traditional Name: 2-[3-[4-(6-keto-4-methyl-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]propyl]isoindoline-1,3-quinone Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NN=C1C2=CC=C(C=C2)OCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1CC(=O)NN=C1C2=CC=C(C=C2)OCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H21N3O4/c1-14-13-19(26)23-24-20(14)15-7-9-16(10-8-15)29-12-4-11-25-21(27)17-5-2-3-6-18(17)22(25)28/h2-3,5-10,14H,4,11-13H2,1H3,(H,23,26)