(3S)-3-ethyl-3-(4-iodanyl-3-oxidanyl-phenyl)-1-methyl-azepan-2-one

Systemtic Name: (3S)-3-ethyl-3-(4-iodanyl-3-oxidanyl-phenyl)-1-methyl-azepan-2-one Openeye Name: (3S)-3-ethyl-3-(3-hydroxy-4-iodo-phenyl)-1-methyl-azepan-2-one CAS Name: (3S)-3-ethyl-3-(3-hydroxy-4-iodophenyl)-1-methyl-2-azepanone IUPAC Name: (3S)-3-ethyl-3-(3-hydroxy-4-iodophenyl)-1-methylazepan-2-one Traditional Name: (3S)-3-ethyl-3-(3-hydroxy-4-iodo-phenyl)-1-methyl-azepan-2-one Formula: C15H20INO2 MolecularWeight: 373.22927

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCCCN(C1=O)C)C2=CC(=C(C=C2)I)O

Isomeric SMILES

CC[C@]1(CCCCN(C1=O)C)C2=CC(=C(C=C2)I)O

InChI

InChI=1S/C15H20INO2/c1-3-15(8-4-5-9-17(2)14(15)19)11-6-7-12(16)13(18)10-11/h6-7,10,18H,3-5,8-9H2,1-2H3/t15-/m0/s1