4-[3-(4-fluorophenyl)-6-oxidanylidene-pyridazin-1-yl]-N-[(4-iodophenyl)methyl]butanamide

Systemtic Name: 4-[3-(4-fluorophenyl)-6-oxidanylidene-pyridazin-1-yl]-N-[(4-iodophenyl)methyl]butanamide Openeye Name: 4-[3-(4-fluorophenyl)-6-oxo-pyridazin-1-yl]-N-[(4-iodophenyl)methyl]butanamide CAS Name: 4-[3-(4-fluorophenyl)-6-oxo-1-pyridazinyl]-N-[(4-iodophenyl)methyl]butanamide IUPAC Name: 4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[(4-iodophenyl)methyl]butanamide Traditional Name: 4-[3-(4-fluorophenyl)-6-keto-pyridazin-1-yl]-N-(4-iodobenzyl)butyramide Formula: C21H19FIN3O2 MolecularWeight: 491.297333

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)CCCN2C(=O)C=CC(=N2)C3=CC=C(C=C3)F)I

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)CCCN2C(=O)C=CC(=N2)C3=CC=C(C=C3)F)I

InChI

InChI=1S/C21H19FIN3O2/c22-17-7-5-16(6-8-17)19-11-12-21(28)26(25-19)13-1-2-20(27)24-14-15-3-9-18(23)10-4-15/h3-12H,1-2,13-14H2,(H,24,27)