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

Systemtic Name: N-[(4-iodophenyl)methyl]-4-[3-(3-methoxyphenyl)-6-oxidanylidene-pyridazin-1-yl]butanamide Openeye Name: N-[(4-iodophenyl)methyl]-4-[3-(3-methoxyphenyl)-6-oxo-pyridazin-1-yl]butanamide CAS Name: N-[(4-iodophenyl)methyl]-4-[3-(3-methoxyphenyl)-6-oxo-1-pyridazinyl]butanamide IUPAC Name: N-[(4-iodophenyl)methyl]-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide Traditional Name: N-(4-iodobenzyl)-4-[6-keto-3-(3-methoxyphenyl)pyridazin-1-yl]butyramide Formula: C22H22IN3O3 MolecularWeight: 503.33285

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN(C(=O)C=C2)CCCC(=O)NCC3=CC=C(C=C3)I

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN(C(=O)C=C2)CCCC(=O)NCC3=CC=C(C=C3)I

InChI

InChI=1S/C22H22IN3O3/c1-29-19-5-2-4-17(14-19)20-11-12-22(28)26(25-20)13-3-6-21(27)24-15-16-7-9-18(23)10-8-16/h2,4-5,7-12,14H,3,6,13,15H2,1H3,(H,24,27)