N-[(6-methoxypyridin-3-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

Systemtic Name: N-[(6-methoxypyridin-3-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-[(6-methoxy-3-pyridyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-[(6-methoxy-3-pyridinyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-[(6-methoxypyridin-3-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-[(6-methoxy-3-pyridyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide Formula: C17H18N2O4 MolecularWeight: 314.33582

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

COC1=NC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C17H18N2O4/c1-21-16-6-3-12(10-18-16)11-19-17(20)13-4-5-14-15(9-13)23-8-2-7-22-14/h3-6,9-10H,2,7-8,11H2,1H3,(H,19,20)