(4R)-3-[4-[[2-[(3-iodanylphenyl)methyl]-3-oxidanylidene-cyclohexen-1-yl]amino]phenyl]-4-methyl-4,5-dihydro-3H-pyridazin-6-one

Systemtic Name: (4R)-3-[4-[[2-[(3-iodanylphenyl)methyl]-3-oxidanylidene-cyclohexen-1-yl]amino]phenyl]-4-methyl-4,5-dihydro-3H-pyridazin-6-one Openeye Name: (4R)-3-[4-[[2-[(3-iodophenyl)methyl]-3-oxo-cyclohexen-1-yl]amino]phenyl]-4-methyl-4,5-dihydro-3H-pyridazin-6-one CAS Name: (4R)-3-[4-[[2-[(3-iodophenyl)methyl]-3-oxo-1-cyclohexenyl]amino]phenyl]-4-methyl-4,5-dihydro-3H-pyridazin-6-one IUPAC Name: (4R)-3-[4-[[2-[(3-iodophenyl)methyl]-3-oxocyclohexen-1-yl]amino]phenyl]-4-methyl-4,5-dihydro-3H-pyridazin-6-one Traditional Name: (4R)-3-[4-[[2-(3-iodobenzyl)-3-keto-cyclohexen-1-yl]amino]phenyl]-4-methyl-4,5-dihydro-3H-pyridazin-6-one Formula: C24H24IN3O2 MolecularWeight: 513.37073

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)N=NC1C2=CC=C(C=C2)NC3=C(C(=O)CCC3)CC4=CC(=CC=C4)I

Isomeric SMILES

C[C@@H]1CC(=O)N=NC1C2=CC=C(C=C2)NC3=C(C(=O)CCC3)CC4=CC(=CC=C4)I

InChI

InChI=1S/C24H24IN3O2/c1-15-12-23(30)27-28-24(15)17-8-10-19(11-9-17)26-21-6-3-7-22(29)20(21)14-16-4-2-5-18(25)13-16/h2,4-5,8-11,13,15,24,26H,3,6-7,12,14H2,1H3/t15-,24?/m1/s1