2-[3-(2,5-dimethylphenyl)-6-oxidanylidene-pyridazin-1-yl]-N-(4-fluorophenyl)butanamide

Systemtic Name: 2-[3-(2,5-dimethylphenyl)-6-oxidanylidene-pyridazin-1-yl]-N-(4-fluorophenyl)butanamide Openeye Name: 2-[3-(2,5-dimethylphenyl)-6-oxo-pyridazin-1-yl]-N-(4-fluorophenyl)butanamide CAS Name: 2-[3-(2,5-dimethylphenyl)-6-oxo-1-pyridazinyl]-N-(4-fluorophenyl)butanamide IUPAC Name: 2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]-N-(4-fluorophenyl)butanamide Traditional Name: 2-[3-(2,5-dimethylphenyl)-6-keto-pyridazin-1-yl]-N-(4-fluorophenyl)butyramide Formula: C22H22FN3O2 MolecularWeight: 379.427383

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)F)N2C(=O)C=CC(=N2)C3=C(C=CC(=C3)C)C

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)F)N2C(=O)C=CC(=N2)C3=C(C=CC(=C3)C)C

InChI

InChI=1S/C22H22FN3O2/c1-4-20(22(28)24-17-9-7-16(23)8-10-17)26-21(27)12-11-19(25-26)18-13-14(2)5-6-15(18)3/h5-13,20H,4H2,1-3H3,(H,24,28)