N-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Systemtic Name: N-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[[3-(4-fluorophenyl)-1-phenyl-4-pyrazolyl]methyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C25H20FN3O3 MolecularWeight: 429.443003

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)NCC3=CN(N=C3C4=CC=C(C=C4)F)C5=CC=CC=C5

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)NCC3=CN(N=C3C4=CC=C(C=C4)F)C5=CC=CC=C5

InChI

InChI=1S/C25H20FN3O3/c26-20-9-6-17(7-10-20)24-19(16-29(28-24)21-4-2-1-3-5-21)15-27-25(30)18-8-11-22-23(14-18)32-13-12-31-22/h1-11,14,16H,12-13,15H2,(H,27,30)