N-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide

Systemtic Name: N-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide Openeye Name: N-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide CAS Name: N-[[3-(4-fluorophenyl)-1-phenyl-4-pyrazolyl]methyl]-5-methoxy-2,3-dihydro-1,4-benzodioxin-7-carboxamide IUPAC Name: N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide Traditional Name: N-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-5-methoxy-2,3-dihydro-1,4-benzodioxin-7-carboxamide Formula: C26H22FN3O4 MolecularWeight: 459.468983

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCCO2)C(=O)NCC3=CN(N=C3C4=CC=C(C=C4)F)C5=CC=CC=C5

Isomeric SMILES

COC1=CC(=CC2=C1OCCO2)C(=O)NCC3=CN(N=C3C4=CC=C(C=C4)F)C5=CC=CC=C5

InChI

InChI=1S/C26H22FN3O4/c1-32-22-13-18(14-23-25(22)34-12-11-33-23)26(31)28-15-19-16-30(21-5-3-2-4-6-21)29-24(19)17-7-9-20(27)10-8-17/h2-10,13-14,16H,11-12,15H2,1H3,(H,28,31)