3-(azepan-1-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-one

Systemtic Name: 3-(azepan-1-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-one Openeye Name: 3-(azepan-1-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-one CAS Name: 3-(1-azepanyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propanone IUPAC Name: 3-(azepan-1-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-one Traditional Name: 3-(azepan-1-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-one Formula: C17H23NO3 MolecularWeight: 289.36942

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCC(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

C1CCCN(CC1)CCC(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C17H23NO3/c19-15(7-10-18-8-3-1-2-4-9-18)14-5-6-16-17(13-14)21-12-11-20-16/h5-6,13H,1-4,7-12H2