1-[3-(azepan-1-ylmethyl)-4-oxidanyl-phenyl]ethanone

Systemtic Name: 1-[3-(azepan-1-ylmethyl)-4-oxidanyl-phenyl]ethanone Openeye Name: 1-[3-(azepan-1-ylmethyl)-4-hydroxy-phenyl]ethanone CAS Name: 1-[3-(1-azepanylmethyl)-4-hydroxyphenyl]ethanone IUPAC Name: 1-[3-(azepan-1-ylmethyl)-4-hydroxyphenyl]ethanone Traditional Name: 1-[3-(azepan-1-ylmethyl)-4-hydroxy-phenyl]ethanone Formula: C15H21NO2 MolecularWeight: 247.33274

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)O)CN2CCCCCC2

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)O)CN2CCCCCC2

InChI

InChI=1S/C15H21NO2/c1-12(17)13-6-7-15(18)14(10-13)11-16-8-4-2-3-5-9-16/h6-7,10,18H,2-5,8-9,11H2,1H3