4-[3-(4-bromophenyl)-6-oxidanylidene-pyridazin-1-yl]-N-(2-methylphenyl)butanamide

Systemtic Name: 4-[3-(4-bromophenyl)-6-oxidanylidene-pyridazin-1-yl]-N-(2-methylphenyl)butanamide Openeye Name: 4-[3-(4-bromophenyl)-6-oxo-pyridazin-1-yl]-N-(o-tolyl)butanamide CAS Name: 4-[3-(4-bromophenyl)-6-oxo-1-pyridazinyl]-N-(2-methylphenyl)butanamide IUPAC Name: 4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(2-methylphenyl)butanamide Traditional Name: 4-[3-(4-bromophenyl)-6-keto-pyridazin-1-yl]-N-(o-tolyl)butyramide Formula: C21H20BrN3O2 MolecularWeight: 426.3064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CCCN2C(=O)C=CC(=N2)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC=CC=C1NC(=O)CCCN2C(=O)C=CC(=N2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H20BrN3O2/c1-15-5-2-3-6-18(15)23-20(26)7-4-14-25-21(27)13-12-19(24-25)16-8-10-17(22)11-9-16/h2-3,5-6,8-13H,4,7,14H2,1H3,(H,23,26)