N-[2-[3-(4-ethoxyphenyl)-6-oxidanylidene-pyridazin-1-yl]ethyl]-2-iodanyl-benzamide

Systemtic Name: N-[2-[3-(4-ethoxyphenyl)-6-oxidanylidene-pyridazin-1-yl]ethyl]-2-iodanyl-benzamide Openeye Name: N-[2-[3-(4-ethoxyphenyl)-6-oxo-pyridazin-1-yl]ethyl]-2-iodo-benzamide CAS Name: N-[2-[3-(4-ethoxyphenyl)-6-oxo-1-pyridazinyl]ethyl]-2-iodobenzamide IUPAC Name: N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-iodobenzamide Traditional Name: 2-iodo-N-[2-(6-keto-3-p-phenetyl-pyridazin-1-yl)ethyl]benzamide Formula: C21H20IN3O3 MolecularWeight: 489.30627

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCNC(=O)C3=CC=CC=C3I

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCNC(=O)C3=CC=CC=C3I

InChI

InChI=1S/C21H20IN3O3/c1-2-28-16-9-7-15(8-10-16)19-11-12-20(26)25(24-19)14-13-23-21(27)17-5-3-4-6-18(17)22/h3-12H,2,13-14H2,1H3,(H,23,27)