3-(2-chloranyl-6-fluoranyl-phenyl)-5-methyl-N-[3-(2-oxidanylideneazepan-1-yl)propyl]-1,2-oxazole-4-carboxamide

Systemtic Name: 3-(2-chloranyl-6-fluoranyl-phenyl)-5-methyl-N-[3-(2-oxidanylideneazepan-1-yl)propyl]-1,2-oxazole-4-carboxamide Openeye Name: 3-(2-chloro-6-fluoro-phenyl)-5-methyl-N-[3-(2-oxoazepan-1-yl)propyl]isoxazole-4-carboxamide CAS Name: 3-(2-chloro-6-fluorophenyl)-5-methyl-N-[3-(2-oxo-1-azepanyl)propyl]-4-isoxazolecarboxamide IUPAC Name: 3-(2-chloro-6-fluorophenyl)-5-methyl-N-[3-(2-oxoazepan-1-yl)propyl]-1,2-oxazole-4-carboxamide Traditional Name: 3-(2-chloro-6-fluoro-phenyl)-N-[3-(2-ketoazepan-1-yl)propyl]-5-methyl-isoxazole-4-carboxamide Formula: C20H23ClFN3O3 MolecularWeight: 407.866323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NCCCN3CCCCCC3=O

Isomeric SMILES

CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NCCCN3CCCCCC3=O

InChI

InChI=1S/C20H23ClFN3O3/c1-13-17(19(24-28-13)18-14(21)7-5-8-15(18)22)20(27)23-10-6-12-25-11-4-2-3-9-16(25)26/h5,7-8H,2-4,6,9-12H2,1H3,(H,23,27)