4-ethanoyl-N-[2-fluoranyl-6-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide

Systemtic Name: 4-ethanoyl-N-[2-fluoranyl-6-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide Openeye Name: 4-acetyl-N-[2-fluoro-6-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide CAS Name: 4-acetyl-N-[2-fluoro-6-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide IUPAC Name: 4-acetyl-N-[2-fluoro-6-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide Traditional Name: 4-acetyl-N-[2-fluoro-6-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide Formula: C15H17F4N3O2 MolecularWeight: 347.307993

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCN(CC1)C(=O)NC2=C(C=CC=C2F)C(F)(F)F

Isomeric SMILES

CC(=O)N1CCCN(CC1)C(=O)NC2=C(C=CC=C2F)C(F)(F)F

InChI

InChI=1S/C15H17F4N3O2/c1-10(23)21-6-3-7-22(9-8-21)14(24)20-13-11(15(17,18)19)4-2-5-12(13)16/h2,4-5H,3,6-9H2,1H3,(H,20,24)