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

Systemtic Name: 4-[3-(4-bromophenyl)-6-oxidanylidene-pyridazin-1-yl]-N-(2,6-dimethylphenyl)butanamide Openeye Name: 4-[3-(4-bromophenyl)-6-oxo-pyridazin-1-yl]-N-(2,6-dimethylphenyl)butanamide CAS Name: 4-[3-(4-bromophenyl)-6-oxo-1-pyridazinyl]-N-(2,6-dimethylphenyl)butanamide IUPAC Name: 4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(2,6-dimethylphenyl)butanamide Traditional Name: 4-[3-(4-bromophenyl)-6-keto-pyridazin-1-yl]-N-(2,6-dimethylphenyl)butyramide Formula: C22H22BrN3O2 MolecularWeight: 440.33298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22BrN3O2/c1-15-5-3-6-16(2)22(15)24-20(27)7-4-14-26-21(28)13-12-19(25-26)17-8-10-18(23)11-9-17/h3,5-6,8-13H,4,7,14H2,1-2H3,(H,24,27)