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

Systemtic Name: N-[(2-phenoxypyridin-4-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-[(2-phenoxy-4-pyridyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-[(2-phenoxy-4-pyridinyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-[(2-phenoxypyridin-4-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-[(2-phenoxy-4-pyridyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide Formula: C22H20N2O4 MolecularWeight: 376.4052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O4/c25-22(17-7-8-19-20(14-17)27-12-4-11-26-19)24-15-16-9-10-23-21(13-16)28-18-5-2-1-3-6-18/h1-3,5-10,13-14H,4,11-12,15H2,(H,24,25)