4-[3-(4-bromophenyl)-6-oxidanylidene-pyridazin-1-yl]-N-(3,4-dimethylphenyl)butanamide

Systemtic Name: 4-[3-(4-bromophenyl)-6-oxidanylidene-pyridazin-1-yl]-N-(3,4-dimethylphenyl)butanamide Openeye Name: 4-[3-(4-bromophenyl)-6-oxo-pyridazin-1-yl]-N-(3,4-dimethylphenyl)butanamide CAS Name: 4-[3-(4-bromophenyl)-6-oxo-1-pyridazinyl]-N-(3,4-dimethylphenyl)butanamide IUPAC Name: 4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(3,4-dimethylphenyl)butanamide Traditional Name: 4-[3-(4-bromophenyl)-6-keto-pyridazin-1-yl]-N-(3,4-dimethylphenyl)butyramide Formula: C22H22BrN3O2 MolecularWeight: 440.33298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCCN2C(=O)C=CC(=N2)C3=CC=C(C=C3)Br)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCCN2C(=O)C=CC(=N2)C3=CC=C(C=C3)Br)C

InChI

InChI=1S/C22H22BrN3O2/c1-15-5-10-19(14-16(15)2)24-21(27)4-3-13-26-22(28)12-11-20(25-26)17-6-8-18(23)9-7-17/h5-12,14H,3-4,13H2,1-2H3,(H,24,27)