N-[4-[2-(2,5-dimethylphenyl)-3-oxidanylidene-5-propan-2-yl-1H-pyrazol-4-yl]phenyl]-2-fluoranyl-benzamide

Systemtic Name: N-[4-[2-(2,5-dimethylphenyl)-3-oxidanylidene-5-propan-2-yl-1H-pyrazol-4-yl]phenyl]-2-fluoranyl-benzamide Openeye Name: N-[4-[2-(2,5-dimethylphenyl)-5-isopropyl-3-oxo-1H-pyrazol-4-yl]phenyl]-2-fluoro-benzamide CAS Name: N-[4-[2-(2,5-dimethylphenyl)-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl]phenyl]-2-fluorobenzamide IUPAC Name: N-[4-[2-(2,5-dimethylphenyl)-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl]phenyl]-2-fluorobenzamide Traditional Name: N-[4-[1-(2,5-dimethylphenyl)-3-isopropyl-5-keto-3-pyrazolin-4-yl]phenyl]-2-fluoro-benzamide Formula: C27H26FN3O2 MolecularWeight: 443.512643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=O)C(=C(N2)C(C)C)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4F

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=O)C(=C(N2)C(C)C)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4F

InChI

InChI=1S/C27H26FN3O2/c1-16(2)25-24(27(33)31(30-25)23-15-17(3)9-10-18(23)4)19-11-13-20(14-12-19)29-26(32)21-7-5-6-8-22(21)28/h5-16,30H,1-4H3,(H,29,32)