3-(azepan-1-yl)-1-(1,3-benzodioxol-5-yl)propan-1-one

Systemtic Name: 3-(azepan-1-yl)-1-(1,3-benzodioxol-5-yl)propan-1-one Openeye Name: 3-(azepan-1-yl)-1-(1,3-benzodioxol-5-yl)propan-1-one CAS Name: 3-(1-azepanyl)-1-(1,3-benzodioxol-5-yl)-1-propanone IUPAC Name: 3-(azepan-1-yl)-1-(1,3-benzodioxol-5-yl)propan-1-one Traditional Name: 3-(azepan-1-yl)-1-(1,3-benzodioxol-5-yl)propan-1-one Formula: C16H21NO3 MolecularWeight: 275.34284

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1CCCN(CC1)CCC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H21NO3/c18-14(7-10-17-8-3-1-2-4-9-17)13-5-6-15-16(11-13)20-12-19-15/h5-6,11H,1-4,7-10,12H2