1-(6-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)-2-pyridin-4-yl-ethanone hydrochloride

Systemtic Name: 1-(6-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)-2-pyridin-4-yl-ethanone hydrochloride Openeye Name: 1-(6-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)-2-(4-pyridyl)ethanone hydrochloride CAS Name: 1-(6-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)-2-pyridin-4-ylethanone hydrochloride IUPAC Name: 1-(6-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)-2-pyridin-4-ylethanone hydrochloride Traditional Name: 1-(6-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)-2-(4-pyridyl)ethanone hydrochloride Formula: C17H18ClNO4 MolecularWeight: 335.78212

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)C(=O)CC3=CC=NC=C3)OCCCO2.Cl

Isomeric SMILES

COC1=C2C(=C(C=C1)C(=O)CC3=CC=NC=C3)OCCCO2.Cl

InChI

InChI=1S/C17H17NO4.ClH/c1-20-15-4-3-13(16-17(15)22-10-2-9-21-16)14(19)11-12-5-7-18-8-6-12;/h3-8H,2,9-11H2,1H3;1H