3-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)azepan-2-one

Systemtic Name: 3-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)azepan-2-one Openeye Name: 3-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)azepan-2-one CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)-2-azepanone IUPAC Name: 3-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)azepan-2-one Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)azepan-2-one Formula: C15H20N2O3 MolecularWeight: 276.3309

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NCC2=C3C(=CC=C2)OCCO3

Isomeric SMILES

C1CCNC(=O)C(C1)NCC2=C3C(=CC=C2)OCCO3

InChI

InChI=1S/C15H20N2O3/c18-15-12(5-1-2-7-16-15)17-10-11-4-3-6-13-14(11)20-9-8-19-13/h3-4,6,12,17H,1-2,5,7-10H2,(H,16,18)