4-[3-(4-bromophenyl)-6-oxidanylidene-pyridazin-1-yl]-N-(3,5-dimethylphenyl)butanamide

Systemtic Name: 4-[3-(4-bromophenyl)-6-oxidanylidene-pyridazin-1-yl]-N-(3,5-dimethylphenyl)butanamide Openeye Name: 4-[3-(4-bromophenyl)-6-oxo-pyridazin-1-yl]-N-(3,5-dimethylphenyl)butanamide CAS Name: 4-[3-(4-bromophenyl)-6-oxo-1-pyridazinyl]-N-(3,5-dimethylphenyl)butanamide IUPAC Name: 4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(3,5-dimethylphenyl)butanamide Traditional Name: 4-[3-(4-bromophenyl)-6-keto-pyridazin-1-yl]-N-(3,5-dimethylphenyl)butyramide Formula: C22H22BrN3O2 MolecularWeight: 440.33298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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