N-[[2-(3-fluoranylphenoxy)pyridin-3-yl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

Systemtic Name: N-[[2-(3-fluoranylphenoxy)pyridin-3-yl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-[[2-(3-fluorophenoxy)-3-pyridyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-[[2-(3-fluorophenoxy)pyridin-3-yl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-[[2-(3-fluorophenoxy)-3-pyridyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide Formula: C22H19FN2O4 MolecularWeight: 394.395663

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)NCC3=C(N=CC=C3)OC4=CC(=CC=C4)F)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)NCC3=C(N=CC=C3)OC4=CC(=CC=C4)F)OC1

InChI

InChI=1S/C22H19FN2O4/c23-17-5-1-6-18(13-17)29-22-16(4-2-9-24-22)14-25-21(26)15-7-8-19-20(12-15)28-11-3-10-27-19/h1-2,4-9,12-13H,3,10-11,14H2,(H,25,26)