3-[1-(3-chloranyl-4-fluoranyl-phenyl)ethylamino]azepan-2-one

Systemtic Name: 3-[1-(3-chloranyl-4-fluoranyl-phenyl)ethylamino]azepan-2-one Openeye Name: 3-[1-(3-chloro-4-fluoro-phenyl)ethylamino]azepan-2-one CAS Name: 3-[1-(3-chloro-4-fluorophenyl)ethylamino]-2-azepanone IUPAC Name: 3-[1-(3-chloro-4-fluorophenyl)ethylamino]azepan-2-one Traditional Name: 3-[1-(3-chloro-4-fluoro-phenyl)ethylamino]azepan-2-one Formula: C14H18ClFN2O MolecularWeight: 284.756923

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)F)Cl)NC2CCCCNC2=O

Isomeric SMILES

CC(C1=CC(=C(C=C1)F)Cl)NC2CCCCNC2=O

InChI

InChI=1S/C14H18ClFN2O/c1-9(10-5-6-12(16)11(15)8-10)18-13-4-2-3-7-17-14(13)19/h5-6,8-9,13,18H,2-4,7H2,1H3,(H,17,19)