N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-4-(4-fluoranylphenoxy)butanamide

Systemtic Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-4-(4-fluoranylphenoxy)butanamide Openeye Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-4-(4-fluorophenoxy)butanamide CAS Name: N-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-4-(4-fluorophenoxy)butanamide IUPAC Name: N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-(4-fluorophenoxy)butanamide Traditional Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-4-(4-fluorophenoxy)butyramide Formula: C22H24FN3O2 MolecularWeight: 381.443263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=O)CCCOC3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=O)CCCOC3=CC=C(C=C3)F

InChI

InChI=1S/C22H24FN3O2/c1-16-21(17(2)26(25-16)19-7-4-3-5-8-19)15-24-22(27)9-6-14-28-20-12-10-18(23)11-13-20/h3-5,7-8,10-13H,6,9,14-15H2,1-2H3,(H,24,27)