3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]azepan-2-one

Systemtic Name: 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]azepan-2-one Openeye Name: 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]azepan-2-one CAS Name: 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-azepanone IUPAC Name: 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]azepan-2-one Traditional Name: 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]azepan-2-one Formula: C16H22N2O3 MolecularWeight: 290.35748

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NCCC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

C1CCNC(=O)C(C1)NCCC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C16H22N2O3/c19-16-13(3-1-2-7-18-16)17-8-6-12-4-5-14-15(11-12)21-10-9-20-14/h4-5,11,13,17H,1-3,6-10H2,(H,18,19)