N-(4-bromanyl-2-fluoranyl-phenyl)-4-ethanoyl-1,4-diazepane-1-carboxamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-4-ethanoyl-1,4-diazepane-1-carboxamide Openeye Name: 4-acetyl-N-(4-bromo-2-fluoro-phenyl)-1,4-diazepane-1-carboxamide CAS Name: 4-acetyl-N-(4-bromo-2-fluorophenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-acetyl-N-(4-bromo-2-fluorophenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-acetyl-N-(4-bromo-2-fluoro-phenyl)-1,4-diazepane-1-carboxamide Formula: C14H17BrFN3O2 MolecularWeight: 358.206083

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCN(CC1)C(=O)NC2=C(C=C(C=C2)Br)F

Isomeric SMILES

CC(=O)N1CCCN(CC1)C(=O)NC2=C(C=C(C=C2)Br)F

InChI

InChI=1S/C14H17BrFN3O2/c1-10(20)18-5-2-6-19(8-7-18)14(21)17-13-4-3-11(15)9-12(13)16/h3-4,9H,2,5-8H2,1H3,(H,17,21)