2-[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]-6-(2,4-dimethoxyphenyl)pyridazin-3-one

Systemtic Name: 2-[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]-6-(2,4-dimethoxyphenyl)pyridazin-3-one Openeye Name: 6-(2,4-dimethoxyphenyl)-2-(2-indolin-1-yl-2-oxo-ethyl)pyridazin-3-one CAS Name: 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-(2,4-dimethoxyphenyl)-3-pyridazinone IUPAC Name: 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-(2,4-dimethoxyphenyl)pyridazin-3-one Traditional Name: 6-(2,4-dimethoxyphenyl)-2-(2-indolin-1-yl-2-keto-ethyl)pyridazin-3-one Formula: C22H21N3O4 MolecularWeight: 391.41984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=NN(C(=O)C=C2)CC(=O)N3CCC4=CC=CC=C43)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2=NN(C(=O)C=C2)CC(=O)N3CCC4=CC=CC=C43)OC

InChI

InChI=1S/C22H21N3O4/c1-28-16-7-8-17(20(13-16)29-2)18-9-10-21(26)25(23-18)14-22(27)24-12-11-15-5-3-4-6-19(15)24/h3-10,13H,11-12,14H2,1-2H3