2-(azepan-1-yl)-1-[3,4-bis(oxidanyl)phenyl]ethanone

Systemtic Name: 2-(azepan-1-yl)-1-[3,4-bis(oxidanyl)phenyl]ethanone Openeye Name: 2-(azepan-1-yl)-1-(3,4-dihydroxyphenyl)ethanone CAS Name: 2-(1-azepanyl)-1-(3,4-dihydroxyphenyl)ethanone IUPAC Name: 2-(azepan-1-yl)-1-(3,4-dihydroxyphenyl)ethanone Traditional Name: 2-(azepan-1-yl)-1-(3,4-dihydroxyphenyl)ethanone Formula: C14H19NO3 MolecularWeight: 249.30556

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC(=O)C2=CC(=C(C=C2)O)O

Isomeric SMILES

C1CCCN(CC1)CC(=O)C2=CC(=C(C=C2)O)O

InChI

InChI=1S/C14H19NO3/c16-12-6-5-11(9-13(12)17)14(18)10-15-7-3-1-2-4-8-15/h5-6,9,16-17H,1-4,7-8,10H2