6-chloranyl-N-[(2-ethoxypyridin-3-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide

Systemtic Name: 6-chloranyl-N-[(2-ethoxypyridin-3-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Openeye Name: 6-chloro-N-[(2-ethoxy-3-pyridyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide CAS Name: 6-chloro-N-[(2-ethoxy-3-pyridinyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide IUPAC Name: 6-chloro-N-[(2-ethoxypyridin-3-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Traditional Name: 6-chloro-N-[(2-ethoxy-3-pyridyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide Formula: C18H19ClN2O4 MolecularWeight: 362.80746

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC=N1)CNC(=O)C2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

CCOC1=C(C=CC=N1)CNC(=O)C2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C18H19ClN2O4/c1-2-23-18-12(5-3-6-20-18)11-21-17(22)13-9-14(19)16-15(10-13)24-7-4-8-25-16/h3,5-6,9-10H,2,4,7-8,11H2,1H3,(H,21,22)